hello:
I found that the .trr from mdrun output is really much huger than the
.xtc file. However, most people would like to generate the .trr file and
then convert it into .xtc file. I am just wondering can we generate the
.xtc file directly from mdrun command like:
mdrun -s md.tpr -o md.xtc
I also found that the CHARMM36 FF (charmm36.ff_4.5.4_ref.tgz
<http://www.gromacs.org/@api/deki/files/184/=charmm36.ff_4.5.4_ref.tgz>)
in gromac website seems to be update, I am wondering is it the latest
CHARMM37 FF?
THX
Albert
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