[gmx-users] Different versions of gromacs

Justin Lemkul jalemkul at vt.edu
Thu Apr 11 17:15:05 CEST 2019


More specifically, versions within a release series that only differ by 
patch number (e.g. 2016.x, 2018.x, etc) are designed to be compatible. I 
would not personally do different processes in the same project with 
different major versions.

-Justin

On 4/10/19 10:56 PM, Bratin Kumar Das wrote:
> Thanks
>
> On Wed 10 Apr, 2019, 4:52 PM RAHUL SURESH <drrahulsuresh at gmail.com wrote:
>
>> It won't work in lower version than 2016. I don't think it will have any
>> problem with higher version and influence of the mdrun is not altered I
>> guess as it is a factor of your mdp settings for higher versions
>>
>> On Wed 10 Apr, 2019, 3:41 PM Bratin Kumar Das, <
>> 177cy500.bratin at nitk.edu.in>
>> wrote:
>>
>>> Hi
>>>      Can I run equilibration simulation in one version (ex gromacs2016.5)
>>> and production simulation in other version. Do the version have some
>>> influence in simulation.
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Justin A. Lemkul, Ph.D.
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