[gmx-users] some question about REMD
mailmd2011 at gmail.com
Wed Oct 17 20:46:17 CEST 2012
On 10/17/2012 08:43 PM, Justin Lemkul wrote:
> Here you're adding atom types, not the associated GB parameters. Some
> of these atom types probably already exist within the gbsa.itp file of
> the force field, judging by their names. At least one (OS) does not.
thank you for kind comments.
What should I do for this issue? do you have any advices?
thanks a lot
More information about the gromacs.org_gmx-users