VMD-L Mailing List
From: elena ermakova (ermak090_at_mail.ru)
Date: Tue Dec 08 2015 - 02:48:04 CST
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Hello,
I would really appreciate if anyone can provide some input to the following question:
VMD is able to calculate interaction energy between any pair of residues along the trajectory.
Question is:
Is any script which allow to calculate the interaction energies between ALL pairs of residues ( may be in cycle) and save them to file or files?
Thank you very much.
Elena
- Next message: Mariano Smoler: "Defining space coordinates for multiple structures"
- Previous message: Tristan Croll: "Re: alignment of two the same structures"
- Next in thread: John Stone: "Re: residue-residue interaction energy"
- Reply: John Stone: "Re: residue-residue interaction energy"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]