AMBER Archive (2009)
Subject: RE: [AMBER] pmemd vs sander.MPI
From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu Nov 05 2009 - 16:58:37 CST
> thank you very much to clear up the syntax problem !
> Just the last detail,
> if I understood well from your example, if one use the old style,
> there is no BELLYMASK keyword necessary and
> the sentence "Allow the following to move"
> is used instead or if it was just your comment so no keyword is
> (except ibelly) ?
Yes, just ibelly is needed and no bellymask is required. The "Allow the
following to move" is purely a comment line and could be changed to anything
All the best
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
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