probably you can try "catdcd"
On 01/21/2013 11:29 AM, Anna Marabotti wrote:
Dear gmx-users,
I followed the suggestions by Justin and Daniel to convert the
trajectories, but still Amber does not recognize the correct format
and complains about the fact that it does not find the correct box
di
Dear gmx-users,
I followed the suggestions by Justin and Daniel to convert the
trajectories, but still Amber does not recognize the correct format and
complains about the fact that it does not find the correct box dimensions.
It seems that the two tools are quite incompatible, especially when th
On Jan 17, 2013, at 12:27 , Justin Lemkul wrote:
>
>
> On 1/17/13 6:22 AM, Anna Marabotti wrote:
>> Dear all,
>> we'd need to convert a trajectory in .xtc format (and the related topology
>> file)
>> to a format that could be read by Amber program (I'd need to perform MM-PBSA
>> calculations).
On 1/17/13 6:22 AM, Anna Marabotti wrote:
Dear all,
we'd need to convert a trajectory in .xtc format (and the related topology file)
to a format that could be read by Amber program (I'd need to perform MM-PBSA
calculations).
We tried to do it using VMD, but failed to produce a correct trajector
Dear all,
we'd need to convert a trajectory in .xtc format (and the related
topology file) to a format that could be read by Amber program (I'd need
to perform MM-PBSA calculations).
We tried to do it using VMD, but failed to produce a correct trajectory
to be read by MMPBSA.py tool. It complai
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