[AMBER] Questions with input file in constant pH MD

From: nicholus bhattacharjee <nicholusbhattacharjee.gmail.com>
Date: Wed, 30 Jun 2010 01:37:32 -0400

Dear community,
                           I have some query with the input file (.in) for
constant pH MD simulation. The *ntcnstph* flag is for the number of MC steps
or the number of MD steps after which MC is run? If it is the former then
which flag specifies the number of MD steps after which MC steps will
follow? The answer to these questions are not very much clear from the
manual. Thank you in advance.

Nicholus Bhattacharjee
PhD Scholar
Department of Chemistry
University of Delhi
Delhi-110007 (INDIA)
Phone: 9873098743(M)
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Received on Tue Jun 29 2010 - 23:00:03 PDT
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