[Debichem-devel] Looking for a mentor -- multiscale molecular modeling package MMB (and molmodel)

[Samuel Flores]

Hi Andrius,
How did this go? I would be pleased to test the package on my stack.

Thanks
Sam

> On 14 Mar 2019, at 13:26, Samuel Flores <samuelfloresc at gmail.com> wrote:
> 
> Sounds great! As I understand an earlier release of OpenMM was packaged. Unfortunately Vijay Pande has left academia. Michael Sherman also left but we can see about getting advice from him if needed. 
> 
> OpenMM is on an MIT license so we can do as we wish to modify if you have a solution.
> 
> Sam
> 
>> On 14 Mar 2019, at 12:13, Andrius Merkys <andrius.merkys at gmail.com> wrote:
>> 
>> Hi Samuel,
>> 
>> On 2019-03-04 14:59, Samuel Flores wrote:
>>> I thought I saw OpenMM is already packaged.
>> 
>> I have started packaging OpenMM [1]. Recently I ran into unversioned
>> shared libraries problem [2], but otherwise OpenMM seems packageable.
>> 
>> Best wishes,
>> Andrius
>> 
>> [1] https://salsa.debian.org/merkys-guest/openmm
>> [2] https://github.com/pandegroup/openmm/issues/2281
>> 
>> -- 
>> Andrius Merkys
>> Vilnius University Institute of Biotechnology, Saulėtekio al. 7, room V325
>> LT-10257 Vilnius, Lithuania
>> 
>> 
>