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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