[gmx-users] can we generate .xtc file directly from mdrun?
Mark.Abraham at anu.edu.au
Thu Oct 4 10:18:33 CEST 2012
On 4/10/2012 5:10 PM, Albert wrote:
> 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
> in gromac website seems to be update, I am wondering is it the latest
> CHARMM37 FF?
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