[EMAIL PROTECTED] wrote:
Hi all:
I am trying to know how many and which molecules of solvent are near my
system, I read the manual and I found that one can do this using trjorder,
but I can not do this with my Gromacs version 3.3.2 beacause in this
version there is a problem and one can not use options -o and -r together.
I also tried with version 3.1.4 but option -r is not available. If I do
not use -r option the output file .pdb is very large (30Gb) and I can not
read it!
Can any one please give any suggestion?
You don't have to use every frame of the trajectory. Read "trjorder -h"
and consider using the -b, -e, -dt flags.
Mark
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