[gmx-users] Re: restarting jobs

Wei Fu fuwei at adrik.bchs.uh.edu
Fri Mar 12 17:40:01 CET 2004

Hi, Martina and Marc,

    We do use nfs to mount each individual node. Maybe this is a reason?

    In addition, I should say, that I use gromacs3.1.4 to genenrate .top and .gro files because gromacs3.2.0 has a bug on editconf. then I use gmx3.2 to miminize, heat, equilibrate and run unrestrainted MD. So, I do not doubt the version problem before. Maybe the force field in gmx3.1.4 is different from 3.2, so it has the restart problem.

    Does gmx3.2.1 fix editconf bug?


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