Re: [gmx-users] Energy minimization error by GMX 4.0.4

2009-05-06 Thread Yanmei Song
Thank you so much for all the helpful response. On Wed, May 6, 2009 at 4:59 PM, Mark Abraham wrote: > Yanmei Song wrote: > >> Dear All: >> >> I just installed the gmx_4.0.4 double precision. >> >> When I do EM, the grompp_d command has no problem. However after I submit >> the job, it gives me t

Re: [gmx-users] Energy minimization error by GMX 4.0.4

2009-05-06 Thread Mark Abraham
Yanmei Song wrote: Dear All: I just installed the gmx_4.0.4 double precision. When I do EM, the grompp_d command has no problem. However after I submit the job, it gives me the following error. Anyone can tell me what is the problem which may cause that? You're using a new .tpr with an o

Re: [gmx-users] Energy minimization error by GMX 4.0.4

2009-05-06 Thread Justin A. Lemkul
Justin A. Lemkul wrote: Yanmei Song wrote: Dear All: I just installed the gmx_4.0.4 double precision. When I do EM, the grompp_d command has no problem. However after I submit the job, it gives me the following error. Anyone can tell me what is the problem which may cause that? By the

Re: [gmx-users] Energy minimization error by GMX 4.0.4

2009-05-06 Thread Justin A. Lemkul
Yanmei Song wrote: Dear All: I just installed the gmx_4.0.4 double precision. When I do EM, the grompp_d command has no problem. However after I submit the job, it gives me the following error. Anyone can tell me what is the problem which may cause that? By the way, in 4.0.4, it can only