AMBER: A script file for measuring the distance between 2 atoms during MD

From: Fenghui Fan <>
Date: Wed, 27 Sep 2006 08:14:23 -0700 (PDT)

Dear all,

I have the following script to measrure
the distance of 67.OD1 and 110.NZ during md1 (a
restricted md) and md2 (productive md):


trajin complex_md1.mdcrd
trajin complex_md2.mdcrd
distance first out 926cAMP_cAMPCOMPLEX_SALT.dat 67.OD1
110.NZ time 0.2
strip :WAT


Will you please tell me whether its correct or what
kind of change I should modify it?

I am looking forward to getting your reply.

Best regards.

Fenghui Fan

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Received on Sun Oct 01 2006 - 06:07:05 PDT
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