[gmx-users] strange NTP trajectory

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

Re: [gmx-users] strange NTP trajectory

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