pavanapex at gmail.com
Thu Jan 28 13:51:54 CET 2010
I have to recreate .gro file from .trr file by using trjconv which i
have deleated previously for disk space reasons , im using following
commond for that
trjconv -f full.trr -s full.tpr -o fullout.gro .
so my question is will this commond give me the same gro file that it was
previously or it may variate
or any changes that u suggest in the given commond.
my second question is regarding g_rms,
i created the .xvg for g_rms , the grph shows it has continous run
for molecule with some peaks in between why is it so as im doing analysis
for the first time i dont know what does this indicates .
is it because the molecule is jumping across the box ? so that more rmsd
at that place
,i think by using -nojump i can do this ?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users