From: soodabeh ghaffari (soodabehghaffari_at_gmail.com)
Date: Thu Apr 02 2020 - 15:57:49 CDT
Yes, will do.
Thanks
On Thu, Apr 2, 2020 at 4:57 PM Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
wrote:
> That looks inconsistent indeed. Can you reach out to the CHARMM-GUI devs
> to clarify?
>
> On Thu, Apr 2, 2020 at 4:21 PM soodabeh ghaffari <
> soodabehghaffari_at_gmail.com> wrote:
>
>> Dear all,
>> I generated namd files in charmm-gui. At the end of
>> step4_equilibration.inp file,
>> There are both numsteps and run. I am not sure which one shows the number
>> of steps of equilibration. I attached the file.
>> Thank you
>> Soodabeh
>>
>
>
> --
> Giacomo Fiorin
> Associate Professor of Research, Temple University, Philadelphia, PA
> Research collaborator, National Institutes of Health, Bethesda, MD
> http://goo.gl/Q3TBQU
> https://github.com/giacomofiorin
>
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