On Tue, Nov 8, 2016 at 6:46 PM, Mark Abraham
wrote:
> Hi,
>
> There's been no active work since 4.5 and no plans I've heard of. I hear
> AMBER is pretty good at it on GPUs :-)
>
>
Since Mark mentioned AMBER, just FYI for @Christian: AMBER have new and
more accurate model (GB-Neck2) too.
Hai
>
ere:
http://amber-md.github.io/pytraj/latest/tutorials/interface_with_mdtraj_.html
Hai
>
> On 06/24/2016 04:36 PM, Hai Nguyen wrote:
>
>> Hi,
>>
>> cpptraj is able to read TRR format too. cpptraj can read a pdb file as
>> Topology, so no need to do any conversion to "
On Fri, Jun 24, 2016 at 7:20 AM, Mark Abraham
wrote:
> Hi,
>
> Not that I know of. From the point of view of someone who already has a
> GROMACS trajectory, the underlying cpptraj tool has support for reading
> .gro and .pdb, but not .xtc or .tng, and you'd also have to decide whether
> you need
Hi
You should know which AMBER force field when you made the topology file.
(How did you make it?)
Hai
On Fri, Feb 19, 2016 at 12:56 AM, mohammad r
wrote:
> Hi gromacs users,
> I've generatedinitial structure of my system by using ambertools (topology
> andcoordinate files) and converted it to
