VMD-L Mailing List

From: Pat Yee (pyee_at_nd.edu)
Date: Thu Aug 26 2010 - 09:01:51 CDT

Hi VMD users,

 

I'm trying to make a DCD file containing select frames of another DCD file.
The frames I want in the new DCD file will be taken when two atoms (in this
case atom1 and atom2) are between 3.23 and 3.43 angstroms apart. So far I've
only made a script that makes a file containing the frames where this
happens. For example, my output might say:

 

123

456

789

 

I want to make a DCD file with only frames 123, 456, and 789.

 

Can anybody tell me how to modify my script to get what I want? I attached
the script and a sample output to this email.

 

Pat Yee