Re: [gmx-users] continuation options

2008-11-11 Thread Daniel Larsson
On Nov 11, 2008, at 15:39 , Berk Hess wrote: > With Gromacs 4.0 I get this message: > > NOTE: The simulation uses pressure coupling and/or stochastic dynamics. > tpbconv can not provide binary identical continuation. > If you want that, supply a checkpoint file to mdrun > > Is it possible to

RE: [gmx-users] continuation options

2008-11-11 Thread Berk Hess
> From: [EMAIL PROTECTED] > To: gmx-users@gromacs.org > Date: Tue, 11 Nov 2008 14:50:46 +0100 > Subject: [gmx-users] continuation options > > With Gromacs 4.0 I get this message: > > NOTE: The simulation uses pressure coupling and/or stochastic dynamics. > tpbconv can not provide binary identi