AMBER Archive (2006)

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

From: Fenghui Fan (fenghui_fan_at_yahoo.com)
Date: Wed Sep 27 2006 - 10:14:23 CDT

Dear all,

I have the following distance.in script to measrure
the distance of 67_at_OD1 and 110_at_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_at_OD1
110_at_NZ time 0.2
strip :WAT
go

----------------------------

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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