[AMBER] Which shake option to be used

From: nicholus bhattacharjee <nicholusbhattacharjee.gmail.com>
Date: Sun, 28 Mar 2010 06:21:51 -0400

Dear community,
                         I am using amber 9. In the tutorials provided with
that for using SHAKE algorithm only ntc=2 is used and not ntc=3. I am not
sure which is the standard protocol. Dose using different values of ntc=2 or
3 will considerably influence my results? Thank you in advance for the help.

Nicholus Bhattacharjee
PhD Scholar
Department of Chemistry
University of Delhi
Delhi-110007 (INDIA)
Phone: 9873098743(M)
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Received on Sun Mar 28 2010 - 03:30:02 PDT
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