How to calculate energy from mdcrd output file

From: Khatcharin Siriwong <>
Date: Wed 14 Mar 2001 15:23:47 +0100

Dear All,

I would like to calculate energies (bond, angle, torsion, vdw, elec, and
so on, like output of sander) from the mdcrd output file. Could anyone
can suggest me?

1. How to calculate those energies?

2. If I calculate by sander with imin=0 (MD calculation) from the mdcrd
output file, how to convert mdcrd file to restrt or inpcrd file?

3. What is the format of mdcrd file?

Many thanks for your kindness.

Sincerely Yours,
Received on Wed Mar 14 2001 - 06:23:47 PST
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