[gmx-users] NVT equilibration of DMSO solvent (Charmm all-atom force field)

[Mark Abraham]

On 21/06/2011 2:44 AM, udaya kiran marelli wrote:
> Dear GROMACS users,
>
> I have generated a 4*4*4 octahedral DMSO box containing 64 molecules 
> (Charmm all-atom force field) which need to be NVT equilibrated in 
> order to pass it for usage in genbox.  Could one of you provide info 
> on how to do the NVT and periodic boundary equilibration to remove the 
> residual ordering of the solvent?

Most tutorials will cover the details of such stages well.

Mark