"\n",
"SHORT METHOD DESCRIPTION\n",
"------------------------\n",
- "1. The protein is resized around its center of mass by a factor -xy in the xy-plane",
- "(the membrane plane) and a factor -z in the z-direction (if the size of the",
+ "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",
"protein in the z-direction is the same or smaller than the width of the membrane, a",
- "-z 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).\n",
"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 -xy",
- " or -z\n",
+ "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",
- "4. The resize factor (-xy or -z) is incremented by a small amount ((1-xy)/nxy or (1-z)/nz) and the",
+ "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 -xy factor",
- "is 1 (thus after -nxy iteration).\n",
- "5. Repeat step 3 and 4 until the protein reaches its original size (-nxy + -nz iterations).\n",
- "For a more extensive method descrition see Wolf et al, J Comp Chem, 31 (2010) 2169-2174.\n",
+ "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",
" - 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",
+ "(see Wolf et al, J Comp Chem 31 (2010) 2169-2174), to re-equilibrate the membrane. Clearly",
"protein equilibration might require longer.\n",
"\n"
};