[gmx-users] strange NTP trajectory

Yang Ye leafyoung81-group at yahoo.com
Fri Dec 1 14:54:07 CET 2006

Do you have anything like -DPOSRE... for define in your mdp file?

Yang Ye

On 12/1/2006 8:18 PM, Qiao Baofu wrote:
> Hi all,
> I run NTV firstly for 100ps, then change to NTP for 1ns. The mdrun 
> finished with the common informations. But when I use vmd (or ngmx) to 
> look at the trajectory, I found that during the NTP stage, starting 
> from 100ps, all the molecules don't move except only one molecules. 
> The output file .gro of NTP seems ok.
> Who knows the reason?
> Sincerely yours,
> Baofu Qiao
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