Pair interaction calculation for large number different pairs

From: Harindar Keer (hkeer_at_uci.edu)
Date: Wed Mar 02 2005 - 22:26:06 CST

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Hi,

 I need to compute the pair-interaction energy calculations for large
number of different pairs in the same protein complex.
Can somebody suggest me the efficient way to do so rather than preparing
separate configuration file for all the pairs.

Many thanks,
Harindar

• Next message: Mauricio Carrillo Tripp: "Re: Not getting good speed up"
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