subject:"\[gmx\-users\] REMD in explicit solvent"

Re: [gmx-users] REMD in explicit solvent

2012-06-19 Thread Mark Abraham

On 19/06/2012 5:55 PM, Esben Jannik Bjerrum wrote: Hi Gromacs Users I'm new to list, but hope to get a little help from someone experienced with setting up some replica exhange simulations in explicit solvent. It keeps exploding after app. 50 to 200 ps simulation time. It runs fine up to

[gmx-users] REMD in explicit solvent

2012-06-19 Thread Esben Jannik Bjerrum

Hi Gromacs Users I'm new to list, but hope to get a little help from someone experienced with setting up some replica exhange simulations in explicit solvent. It keeps exploding after app. 50 to 200 ps simulation time. It runs fine up to there, and then suddently one or a couple of atoms ge