Re: [AMBER] simulation without solvent

From: <steinbrt.rci.rutgers.edu>
Date: Tue, 14 Feb 2012 03:31:29 -0500 (EST)

Hi,

you could use set box X Y Z in leap (not setbox, thats a different
command) to make a 'box full of mostly vacuum', but a system without
solvent would normally be used in vacuo (ntb=0) or with continuum solvent
(igb>0). DNA in vacuum makes little sense in my opinion...

Thomas

Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

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Received on Tue Feb 14 2012 - 01:00:02 PST
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