[gmx-users] can we generate .xtc file directly from mdrun?

[Mark Abraham]

On 4/10/2012 5:10 PM, Albert wrote:
> 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.

See 
http://www.gromacs.org/Documentation/How-tos/Reducing_Trajectory_Storage_Volume

Mark
> 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