From: Lara rajam (lara.4884_at_gmail.com)
Date: Thu Jun 06 2019 - 14:47:22 CDT
Dear NAMD users
I would like to energy minimize each frame to 2000 steps and then write the
final coordinates , This I want to do it for all the MD frames .
Any informations will be useful Thank you
On Thu, Jun 6, 2019 at 3:44 PM Pratik Narain Srivastava <
pratik.narain_at_gmail.com> wrote:
> If by quenching you mean decrease the number of frames then just load the
> trajectory using the stride function. After loading your PDB and PSF files,
> when you select you DCD, apply a stride value of total_frames/2000 in the
> appropriate field to get 2000 frames loaded.
>
> On Fri, 7 Jun, 2019, 1:11 AM Lara rajam, <lara.4884_at_gmail.com> wrote:
>
>> Dear Namd Users
>> I would like to quench the MD generated dcd files ( minimizing to 2000
>> steps).
>> Can any one let me know the possibilities of doing this
>> thanks in advance
>>
>
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