so, is it that rlist should be less than rc?
On Tue, Jun 24, 2014 at 12:42 PM, Szilárd Páll
wrote:
> On Tue, Jun 24, 2014 at 7:18 PM, Justin Lemkul wrote:
> >
> >
> > On 6/24/14, 12:14 PM, ram bio wrote:
> >>
> >> hi Justin,
> >>
> >>
shall i do only two tc-grps protein and non-protein?
On Tue, Jun 24, 2014 at 12:18 PM, Justin Lemkul wrote:
>
>
> On 6/24/14, 12:14 PM, ram bio wrote:
>
>> hi Justin,
>>
>> Thanks, that makes sense, however I was able to use the same ligand
>> toplogy
24/14, 12:14 PM, ram bio wrote:
>
>> hi Justin,
>>
>> Thanks, that makes sense, however I was able to use the same ligand
>> toplogy
>> files with earlier versions like gromacs 4.5.4 to simulate protein ligand
>> complexes. I can simulate protein-ligand complexe
; On 6/23/14, 5:53 PM, ram bio wrote:
>
>> Dear Gromacs Users,
>>
>> I have been trying to simulate protein-ligand complex using gromacs
>> versions that use verlet cutoff scheme on gpus.
>>
>> These are some of the issues that i could resolve, and any kind
Dear Gromacs Users,
I have been trying to simulate protein-ligand complex using gromacs
versions that use verlet cutoff scheme on gpus.
These are some of the issues that i could resolve, and any kind of
suggestion or help is appreciated.
1. With gromacs 4.6.5 i could simulate crystal structure f
