Re: [gmx-users] segmentation fault in position restrained step

2010-04-25 Thread Justin A. Lemkul
Moeed wrote: Dear Justin, 1- Could you please check if I have grouped atoms properly? Lastly, I could generate the tpr file for PR step. Since I am getting segmentation fault in the next step I though maybe there is sth wring with charge groups.. I don't know how your labeling is set up.

[gmx-users] segmentation fault in position restrained step

2010-04-25 Thread Moeed
Dear Justin, 1- Could you please check if I have grouped atoms properly? Lastly, I could generate the tpr file for PR step. Since I am getting segmentation fault in the next step I though maybe there is sth wring with charge groups.. However, I have a funda,mental question. I am to compute intera