RE : RE : [gmx-users] segmentation fault in mdrun when using PME

Arneh Babakhani Date: mar. 2006-05-02 23:21 À: Discussion list for GROMACS users Objet : Re: RE : [gmx-users] segmentation fault in mdrun when using PME Hello, I'm experiencing the exact same problem, when trying to do some restrained molecular dynamics of a small peptide in a water box. Have you

RE: [gmx-users] segmentation fault in mdrun when using PME

-Original Message- From: [EMAIL PROTECTED] on behalf of David van der Spoel Sent: Sat 4/29/2006 2:25 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] segmentation fault in mdrun when using PME Diane Fournier wrote: Hi, I'm new to Gromacs and I'm trying to run

Re: [gmx-users] segmentation fault in mdrun when using PME

Diane Fournier wrote: -Original Message- From: [EMAIL PROTECTED] on behalf of David van der Spoel Sent: Sat 4/29/2006 2:25 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] segmentation fault in mdrun when using PME Diane Fournier wrote: Hi, I'm new to Gromacs

Re: [gmx-users] segmentation fault in mdrun when using PME

Diane Fournier wrote: Hi, I'm new to Gromacs and I'm trying to run a enzyme-ligand complex molecular dynamics simulation. I have tried doing John Kerrigan's Drug-Enzyme tutorial and mdrun crashes with segmentation fault and core dump at the steepest descents minimization step. However, mdrun