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Fixes to grompp -maxwarn documentation. Issue ID #627
author
Justin Lemkul
<jalemkul@vt.edu>
Fri, 14 Jan 2011 14:00:18 +0000
(09:00 -0500)
committer
Justin Lemkul
<jalemkul@vt.edu>
Fri, 14 Jan 2011 14:00:18 +0000
(09:00 -0500)
src/kernel/grompp.c
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diff --git
a/src/kernel/grompp.c
b/src/kernel/grompp.c
index 926614efb8ffd9fee2600019d21afb42357a0fca..8dafa1a3c5a341ac0866a7072d8e18f7f054c2cc 100644
(file)
--- a/
src/kernel/grompp.c
+++ b/
src/kernel/grompp.c
@@
-1209,7
+1209,13
@@
int main (int argc, char *argv[])
"with the [TT]-debug[tt] option which will give you more information",
"in a file called grompp.log (along with real debug info). Finally, you",
"can see the contents of the run input file with the [TT]gmxdump[tt]",
"with the [TT]-debug[tt] option which will give you more information",
"in a file called grompp.log (along with real debug info). Finally, you",
"can see the contents of the run input file with the [TT]gmxdump[tt]",
- "program."
+ "program.[PAR]"
+
+ "The [TT]-maxwarn[tt] option can be used to override warnings printed",
+ "by grompp that otherwise halt output. In some cases, warnings are",
+ "harmless, but usually they are not. The user is advised to carefully",
+ "interpret the output messages before attempting to bypass them with",
+ "this option."
};
t_gromppopts *opts;
gmx_mtop_t *sys;
};
t_gromppopts *opts;
gmx_mtop_t *sys;
@@
-1264,7
+1270,7
@@
int main (int argc, char *argv[])
{ "-rmvsbds",FALSE, etBOOL, {&bRmVSBds},
"Remove constant bonded interactions with virtual sites" },
{ "-maxwarn", FALSE, etINT, {&maxwarn},
{ "-rmvsbds",FALSE, etBOOL, {&bRmVSBds},
"Remove constant bonded interactions with virtual sites" },
{ "-maxwarn", FALSE, etINT, {&maxwarn},
- "Number of allowed warnings during input processing" },
+ "Number of allowed warnings during input processing
. Not for normal use and may generate unstable systems
" },
{ "-zero", FALSE, etBOOL, {&bZero},
"Set parameters for bonded interactions without defaults to zero instead of generating an error" },
{ "-renum", FALSE, etBOOL, {&bRenum},
{ "-zero", FALSE, etBOOL, {&bZero},
"Set parameters for bonded interactions without defaults to zero instead of generating an error" },
{ "-renum", FALSE, etBOOL, {&bRenum},