From: DimitryASuplatov (genesup_at_gmail.com)
Date: Fri Apr 17 2009 - 12:11:27 CDT
I`ve been using gromacs previously. It is generaly a default strategy in
gmx to use dummy constructions for hydrogens or aromatics and heavy
hydrogens constructions. This enables fast and reliable calculations
with up to 4fs.
1/ Is it possible to set dummy constructions in namd? How? I did not
find anything appropriate in the manual or on the web
2/ What are the general strategies to speed up the calculations in namd?
Thanks, I appreciate your time.
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