From e592bc5f064e2304d66af7f5b51bf2b470425100 Mon Sep 17 00:00:00 2001 From: Mark Abraham Date: Mon, 9 May 2011 15:30:48 +1000 Subject: [PATCH] Added hint about calling trjconv more than once --- src/tools/gmx_trjconv.c | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/src/tools/gmx_trjconv.c b/src/tools/gmx_trjconv.c index 4b0387154b..3766b3319a 100644 --- a/src/tools/gmx_trjconv.c +++ b/src/tools/gmx_trjconv.c @@ -617,6 +617,11 @@ int gmx_trjconv(int argc,char *argv[]) "Use option [TT]-pbc mol[tt] in addition to [TT]-center[tt] when you", "want all molecules in the box after the centering.[PAR]", + "It is not always possible to use combinations of [TT]-pbc[tt],", + "[TT]-fit[tt], [TT]-ur[tt] and [TT]-center[tt] to do exactly what", + "you want in one call to [TT]trjconv[tt]. Consider using multiple", + "calls, and check out the GROMACS website for suggestions.[PAR]", + "With [TT]-dt[tt], it is possible to reduce the number of ", "frames in the output. This option relies on the accuracy of the times", "in your input trajectory, so if these are inaccurate use the", -- 2.11.4.GIT