From: Souvik Sinha (souvik.sinha893_at_gmail.com)
Date: Wed May 09 2018 - 00:53:43 CDT
I think you can write a tcl script to extract frames of your interest as
separate pdb files using VMD (Tk Console interface). Or you can just do the
same to write only the frame numbers (fulfilling distance criteria) in a
index file (.ndx) and parse that file (.ndx) to the 'trjconv' module of
Gromacs to get a trajectory of your selected frames.
On Wed, May 9, 2018 at 10:13 AM, Dhiraj Srivastava <dhirajks_at_gmail.com>
> Hi All
> I have a trajectory file from which I want to extract out the
> frames which fulfill certain distance criteria between two atom pair. what
> is the best way to do it?
> Thank you
-- Souvik Sinha Research Scholar Bioinformatics Centre Bose Institute Contact: 033 25693275
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2019 - 23:19:54 CST