[gmx-users] LINCS Warning with MDRUN - Segmentation Fault

2006-04-19 Thread Gaurav Chopra
HiAttached is part of the gro file which gave the LINCS error on atoms. Thisoutput is the gro file for the initial mdrun, after which final grompp andfinal mdrun was done, which gives the error I described in the message below.Gaurav Gaurav Chopra wrote:> > Hi> >> > I am getting the following error

Re: [gmx-users] LINCS Warning with MDRUN - Segmentation Fault

2006-04-17 Thread X.Periole
On Mon, 17 Apr 2006 00:07:29 -0700 "Gaurav Chopra" <[EMAIL PROTECTED]> wrote: Hi I am getting the following error with mdrun. I have done a few things but the system complains of 1-4 interactions and gives LINCS warning if the constraints are not turned off in the mdp file. I also changed th

Re: [gmx-users] LINCS Warning with MDRUN - Segmentation Fault

2006-04-17 Thread David van der Spoel
Gaurav Chopra wrote: Hi I am getting the following error with mdrun. I have done a few things but the system complains of 1-4 interactions and gives LINCS warning if the constraints are not turned off in the mdp file. I also changed the fudgeQQ = 1.0 (instead of 0.5) in ffoplsaa.itp and then

[gmx-users] LINCS Warning with MDRUN - Segmentation Fault

2006-04-17 Thread Gaurav Chopra
Hi I am getting the following error with mdrun. I have done a few things but the system complains of 1-4 interactions and gives LINCS warning if the constraints are not turned off in the mdp file. I also changed the fudgeQQ = 1.0 (instead of 0.5) in ffoplsaa.itp and then did mdrun but I get 1-4 in