RE: [gmx-users] Re: Re: problems running REMD on grids

2009-09-21 Thread Berk Hess
> Date: Mon, 21 Sep 2009 09:11:24 +0200 > From: anna.marabo...@isa.cnr.it > To: gmx-users@gromacs.org > Subject: [gmx-users] Re: Re: problems running REMD on grids > > Dear Mark, > > I passed your suggestion to omit the -s flag to the person who developed the > s

[gmx-users] Re: Re: problems running REMD on grids

2009-09-21 Thread Anna Marabotti
Dear Mark, I passed your suggestion to omit the -s flag to the person who developed the scripts to launch GROMACS on the grid (I'm only a final user with no permission to modify the scripts). We made several trials and I don't know exactly all the modifications he applied during all trials (it's n