On Tue, May 8, 2012 at 2:04 AM, Mark Abraham wrote:
>
>
> Yeah, that .rtp comment looks totally wrong. After looking at the code I
> think:
>
> * Column 5: 1 means keep all generated dihedrals,
> * 0 means permit generated dihedrals to have their parameters
> * supe
On 8/05/2012 5:19 AM, Elton Carvalho wrote:
Thank you for your reply, Mark,
On Sat, May 5, 2012 at 7:06 AM, Mark Abraham wrote:
Fundamentally, pdb2gmx is built for fine-grained force fields. I'd have
supposed Martini has some kind of builder program other than pdb2gmx, for
this kind of reason,
Thank you for your reply, Mark,
On Sat, May 5, 2012 at 7:06 AM, Mark Abraham wrote:
>
> Fundamentally, pdb2gmx is built for fine-grained force fields. I'd have
> supposed Martini has some kind of builder program other than pdb2gmx, for
> this kind of reason, but I have no idea whether this is tru
On 5/05/2012 1:47 AM, Elton Carvalho wrote:
Dear Gromacs users
I am currently preparing an RTP file to describe a polymer for use with MARTINI.
MARTINI does not include default bonded interactions, so all bonds,
angles and dihedrals must be explicitly defined in the topology file
or, in my case
Dear Gromacs users
I am currently preparing an RTP file to describe a polymer for use with MARTINI.
MARTINI does not include default bonded interactions, so all bonds,
angles and dihedrals must be explicitly defined in the topology file
or, in my case, in the RTP file.
The problem is that pdb2gm
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