AMBER Archive (2004)

Subject: AMBER: question on simulated annealing

From: Venkata S Koppuravuri (kvsuneel_at_linus.bmb.wright.edu)
Date: Wed Apr 28 2004 - 11:00:39 CDT

Hi Everyone,

I was going through the manual to learn about simulated annealing and I
have observed that all the examples given in the manual and tutorials talk
about simulated annealing in vacuum.

1. Is it a general procedure to do simulated annealing in vacuum ??

2. Is it also possible to do it with a solvent like water ?? If possible
can someone tell me where I can find an example for that.

Thanks in advance.

Regards,
-Venkat

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