"only the atom types are used for generating interaction parameters.[PAR]",
"[TT]grompp[tt] uses a built-in preprocessor to resolve includes, macros, ",
- "etc. The preprocessor supports the following keywords:[BR]",
+ "etc. The preprocessor supports the following keywords:[PAR]",
"#ifdef VARIABLE[BR]",
"#ifndef VARIABLE[BR]",
"#else[BR]",
"#define VARIABLE[BR]",
"#undef VARIABLE[BR]"
"#include \"filename\"[BR]",
- "#include <filename>[BR]",
+ "#include <filename>[PAR]",
"The functioning of these statements in your topology may be modulated by",
- "using the following two flags in your [TT].mdp[tt] file:[BR]",
- "define = -DVARIABLE1 -DVARIABLE2[BR]",
- "include = -I/home/john/doe[BR]",
+ "using the following two flags in your [TT].mdp[tt] file:[PAR]",
+ "[TT]define = -DVARIABLE1 -DVARIABLE2[BR]",
+ "include = -I/home/john/doe[tt][BR]",
"For further information a C-programming textbook may help you out.",
"Specifying the [TT]-pp[tt] flag will get the pre-processed",
"topology file written out so that you can verify its contents.[PAR]",
-
- "If your system does not have a c-preprocessor, you can still",
- "use [TT]grompp[tt], but you do not have access to the features ",
- "from the cpp. Command line options to the c-preprocessor can be given",
- "in the [TT].mdp[tt] file. See your local manual (man cpp).[PAR]",
+
+ /* cpp has been unnecessary for some time, hasn't it?
+ "If your system does not have a C-preprocessor, you can still",
+ "use [TT]grompp[tt], but you do not have access to the features ",
+ "from the cpp. Command line options to the C-preprocessor can be given",
+ "in the [TT].mdp[tt] file. See your local manual (man cpp).[PAR]",
+ */
"When using position restraints a file with restraint coordinates",
"can be supplied with [TT]-r[tt], otherwise restraining will be done",
"[TT]-e[tt] to read Nose-Hoover and/or Parrinello-Rahman coupling",
"variables.[PAR]",
- "[TT]grompp[tt] can be used to restart simulations preserving",
- "continuity by supplying just a checkpoint file with [TT]-t[tt].",
+ "[TT]grompp[tt] can be used to restart simulations (preserving",
+ "continuity) by supplying just a checkpoint file with [TT]-t[tt].",
"However, for simply changing the number of run steps to extend",
"a run, using [TT]tpbconv[tt] is more convenient than [TT]grompp[tt].",
"You then supply the old checkpoint file directly to [TT]mdrun[tt]",
"of virtual site constructions will be removed. If any constraints remain",
"which involve virtual sites, a fatal error will result.[PAR]"
- "To verify your run input file, please make notice of all warnings",
+ "To verify your run input file, please take note of all warnings",
"on the screen, and correct where necessary. Do also look at the contents",
- "of the [TT]mdout.mdp[tt] file, this contains comment lines, as well as",
- "the input that [TT]grompp[tt] has read. If in doubt you can start grompp",
+ "of the [TT]mdout.mdp[tt] file; this contains comment lines, as well as",
+ "the input that [TT]grompp[tt] has read. If in doubt, you can start [TT]grompp[tt]",
"with the [TT]-debug[tt] option which will give you more information",
"in a file called [TT]grompp.log[tt] (along with real debug info). You",
"can see the contents of the run input file with the [TT]gmxdump[tt]",