AMBER Archive (2007)

Subject: AMBER: MD temperature and MM_pbsa temperature

From: Rima Chaudhuri (rima.chaudhuri_at_gmail.com)
Date: Fri Feb 23 2007 - 15:22:30 CST

Hi All,

1. A quick query, my MD was run at 310K, whereas the mm_pbsa was done at
300K, will a 10K difference cause any drastic results? I know for Nmode
calculations, Temperature will cause some difference, hence I set the
temperature to 310K. Would it be neccessary to re-run the MM_PBSA at 310k?
or should the results be comparable?

Thanks a lot in advance. 

-- 
-Rima

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