; about it.I would spend more time on it.
> >
> > Now,would you please offer me some advice on solve my problem above?
> >
> > Tao Wang
> >
> > Thank You!
> >
> >
> > Message: 2
> > Date: Wed, 25 May 2016 07:04:59 -0400
> > From: Justin Lemk
lem above?
Tao Wang
Thank You!
Message: 2
Date: Wed, 25 May 2016 07:04:59 -0400
From: Justin Lemkul <jalem...@vt.edu>
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] gromacs energy minimization fatal error:
Invalid bond type 1000 in constant-PH MD
Message-ID: <fe760a05-25
On 5/25/16 6:06 AM, Wang Tao wrote:
Hi,every one!
I'm using opls aa in gromacs to conduct constant-PH MD. In my system,PH is
equal to 13.There are three kind of groups, NA+,OH- and H2O. The itp file for
OH- is created by myself.
This is not what constant pH MD is. You've got a fixed
