[gmx-users] strange NTP trajectory

[Qiao Baofu]

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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Re: [gmx-users] strange NTP trajectory

[Yang Ye]

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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