[gmx-users] how to set "gen_vel" in mdp file and continue a crashed run
Jian Zou
zouj01 at mails.tsinghua.edu.cn
Tue May 24 13:44:18 CEST 2005
Xavier wrote:
>> Then the last frame will be used? or the nearest output frame to the
>> last?
>>
> What is the difference between the two ??
> tpbconv will use the last complet frame the trr file contains !
I wanted to know if I use different nst for coordinates and velocity, eg.
"nstxout=1000" "nstvout=10000".
I tried and found that tpbconv will use the last complete frame with both
coordinates and velocities in trr.
Thank you again, Xavier.
Regards,
Jian Zou
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