Hi Qianzhen,
time may have proven me wrong here, but in my days of Amber usage long
past, this information was not recorded in the prmtop, Amber used to erase
chain info and works on a 'list of residues' level only.
Kind Regards,
Thomas
On Wed, Jan 24, 2024 at 6:57 AM Shao, Qianzhen via AMBER <amber.ambermd.org>
wrote:
> **Warning** The sender address ("Shao, Qianzhen via AMBER" ) can not be
> verified, sender email address could be spoofed. Please take care to
> proceed.
> Dear Mailing List,
>
> I'm writing a python parser for .prmtop file right now. I'm having a hard
> time finding how prmtop record the chain-association for each residue.
> (i.e.: whether 2 residues are from the same chain)
> I will be grateful if anyone can share some insights.
> Thanks in advance.
>
> All the Best,
> QZ
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--
*Dr. Thomas Steinbrecher*
Principal Scientist CADD
Roche Pharma Research and Early Development
Roche Innovation Center Basel
F. Hoffmann-La Roche Ltd
Bldg. 092/3.92
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4070 Basel
Switzerland
Phone +41 61 682 1319
mailto: thomas.steinbrecher.roche.com
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Received on Tue Jan 23 2024 - 23:30:02 PST
