AMBER Archive (2007)

Subject: AMBER: Should we just vary one parameter at a time only for PMF calculations?

From: Catein Catherine (askamber23_at_hotmail.com)
Date: Thu Jun 07 2007 - 10:18:51 CDT

Dear Sir/Madam,

I could like to do the PMF calculation by varying the distance between the
drug and the receptor.

However, by varying the distance, the angles between the drug and receptors
always changed too? Is it expected? Is it necessary to fix the angles
between them?

best regards,

Cat

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