Re: write pdb

Date: Thu Feb 20 2014 - 00:31:36 CST

Dear Boyang,
You can use the writepdb or animate command to write pdb file after load psf and dcd all [atomselect top all]; $all writepdb foo.pdb write pdb foo.pdb
psf and dcd files don't contact all terms in pdb file, such as chain and element, those info may be lost.You would better load the initial pdb file as well, to ensure the system load in VMD completely.
Jian Liu, SInAP, CAS

 From: Boyang WangDate: 2014-02-20 14:05To: namd-l_at_ks.uiuc.eduSubject: namd-l:Dear all,
I am trying to write pdb after I load psf and dcd files in vmd.
Is it possible to use vmd text based command to write pdb files from psf and dcd? The text command would be ideal if it is entered in a linux terminal.

Thanks a lot.Boyang

Boyang Wang, Ph.D.

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