Thanks very much for the help. I will see what I can do about that.
Sincerely
ELie
> Date: Sat, 8 Sep 2012 16:50:00 -0400
> From: jalem...@vt.edu
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] error in producing top file for a structure
>
>
>
> On 9/8/
On 9/8/12 4:46 PM, Elie M wrote:
Thanks a lot for your response. Actually i do have LIG , which obviosuly the
code did not understand and changed it into LI; at first I thought LI was LIG
but in GROMACS' language. Is there any place where I can read how to
implement changes in the .rtp file?
From: jalem...@vt.edu
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] error in producing top file for a structure
>
>
>
> On 9/8/12 4:29 PM, Elie M wrote:
> >
> > Dear all,
> > I am new to GROMACS. I am trying to minimize a structure but first I have
> &
On 9/8/12 4:29 PM, Elie M wrote:
Dear all,
I am new to GROMACS. I am trying to minimize a structure but first I have to
form the pdb file with the correct force field parameters. I am using version
4.0.5 and an OPLSAA force field. The error I am getting is:...Opening
library file
/cygd
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