{
const char *desc[] = {
"[TT]g_membed[tt] embeds a membrane protein into an equilibrated lipid bilayer at the position",
- "and orientation specified by the user.\n",
- "\n",
- "SHORT MANUAL\n------------\n",
+ "and orientation specified by the user.[PAR]",
+ "SHORT MANUAL[BR]------------[BR]",
"The user should merge the structure files of the protein and membrane (+solvent), creating a",
"single structure file with the protein overlapping the membrane at the desired position and",
- "orientation. Box size should be taken from the membrane structure file. The corresponding topology",
+ "orientation. The box size is taken from the membrane structure file. The corresponding topology",
"files should also be merged. Consecutively, create a [TT].tpr[tt] file (input for [TT]g_membed[tt]) from these files,"
- "with the following options included in the [TT].mdp[tt] file.\n",
+ "with the following options included in the [TT].mdp[tt] file.[BR]",
" - [TT]integrator = md[tt][BR]",
" - [TT]energygrp = Protein[tt] (or other group that you want to insert)[BR]",
" - [TT]freezegrps = Protein[tt][BR]",
" - [TT]energygrp_excl = Protein Protein[tt][BR]",
"The output is a structure file containing the protein embedded in the membrane. If a topology",
"file is provided, the number of lipid and ",
- "solvent molecules will be updated to match the new structure file.\n",
- "For a more extensive manual see Wolf et al, J Comp Chem 31 (2010) 2169-2174, Appendix.\n",
- "\n",
- "SHORT METHOD DESCRIPTION\n",
- "------------------------\n",
+ "solvent molecules will be updated to match the new structure file.[BR]",
+ "For a more extensive manual see Wolf et al, J Comp Chem 31 (2010) 2169-2174, Appendix.[PAR]",
+ "SHORT METHOD DESCRIPTION[BR]",
+ "------------------------[BR]",
"1. The protein is resized around its center of mass by a factor [TT]-xy[tt] in the xy-plane",
- "(the membrane plane) and a factor [TT]-z[tt] in the z-direction (if the size of the",
+ "(the membrane plane) and a factor [TT]-z[tt] in the [IT]z[it]-direction (if the size of the",
"protein in the z-direction is the same or smaller than the width of the membrane, a",
- "[TT]-z[tt] value larger than 1 can prevent that the protein will be enveloped by the lipids).\n",
+ "[TT]-z[tt] value larger than 1 can prevent that the protein will be enveloped by the lipids).[BR]",
"2. All lipid and solvent molecules overlapping with the resized protein are removed. All",
"intraprotein interactions are turned off to prevent numerical issues for small values of [TT]-xy[tt]",
- " or [TT]-z[tt]\n",
- "3. One md step is performed.\n",
+ " or [TT]-z[tt][BR]",
+ "3. One md step is performed.[BR]",
"4. The resize factor ([TT]-xy[tt] or [TT]-z[tt]) is incremented by a small amount ((1-xy)/nxy or (1-z)/nz) and the",
"protein is resized again around its center of mass. The resize factor for the xy-plane",
"is incremented first. The resize factor for the z-direction is not changed until the [TT]-xy[tt] factor",
- "is 1 (thus after [TT]-nxy[tt] iterations).\n",
- "5. Repeat step 3 and 4 until the protein reaches its original size ([TT]-nxy[tt] + [TT]-nz[tt] iterations).\n",
- "For a more extensive method description see Wolf et al, J Comp Chem, 31 (2010) 2169-2174.\n",
- "\n",
- "NOTE\n----\n",
- " - Protein can be any molecule you want to insert in the membrane.\n",
+ "is 1 (thus after [TT]-nxy[tt] iterations).[BR]",
+ "5. Repeat step 3 and 4 until the protein reaches its original size ([TT]-nxy[tt] + [TT]-nz[tt] iterations).[BR]",
+ "For a more extensive method description see Wolf et al, J Comp Chem, 31 (2010) 2169-2174.[PAR]",
+ "NOTE[BR]----[BR]",
+ " - Protein can be any molecule you want to insert in the membrane.[BR]",
" - It is recommended to perform a short equilibration run after the embedding",
"(see Wolf et al, J Comp Chem 31 (2010) 2169-2174), to re-equilibrate the membrane. Clearly",
- "protein equilibration might require longer.\n",
- "\n"
+ "protein equilibration might require longer.[PAR]"
};
t_commrec *cr;
t_filenm fnm[] = {