[gmx-users] Regarding version of gromacs

[Justin Lemkul]

On 4/10/20 9:21 AM, FAISAL NABI wrote:
> I have tried the same few days back but it didn't work. I have been using
> gromacs 2018.1 earlier and then switched to 5.1.4 and it didn't work.

Switching between major versions that are years apart in their 
development will not work, and GROMACS has never guaranteed backwards 
compatibility between major versions.

Patch releases in the same release series (e.g. 5.1.4 vs 5.1.2) should 
be compatible because the .tpr version will not have changed, but one 
needs to question why move backwards and potentially introduce bugs that 
were fixed between versions?

-Justin

> On Fri, Apr 10, 2020, 6:43 PM Ashma Khan <ashmakhan200 at gmail.com> wrote:
>
>> Dear all,
>> I have run my simulation on gromacs 5.1.4 for 200ns but now I want to
>> extend my simulation to 500ns with gromacs 5.1.2. Is it possible or will
>> there be problem during total simulation of 500ns in my systems. Please
>> give me suggestion regarding this.
>>
>> --
>> Ashma Khan
>> Research Scholar
>> Department of Chemistry
>> AMU, Aligarh
>> --
>> Gromacs Users mailing list
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-- 
==================================================

Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
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