VMD-L Mailing List

From: Peter Freddolino (petefred_at_umich.edu)
Date: Sun Sep 06 2020 - 19:00:34 CDT

With that said... do you really want to write in your methods section that
you used different versions of namd for your different simulations?
Best,
Peter

On Sun, Sep 6, 2020 at 7:44 PM Josh Vermaas <joshua.vermaas_at_gmail.com>
wrote:

> I would expect both versions to sample the same ensemble. Is that not what
> you are seeing? I'd also recommend 2.14 while you are at it.
> Josh
>
> On Sun, Sep 6, 2020, 4:03 PM Krishna Vkm <krishnatifr_at_gmail.com> wrote:
>
>> Dear NAMD User
>> I did multiple all-atom MD simulations of my protein system two years ago
>> with *NAMD2.9*. Now I want to do more simulations of the same system but
>> my cluster has *NAMD2.13* instead of *NAMD2.9*. I would like to have
>> your suggestions on whether the results from NAMD2.9 and NAMD2.13 will be
>> different or the same.
>>
>>
>> *Thanks and regards*
>> *Krishna Kant*
>> *TIFR Mumbai*
>>
>>
>>