Re: how to use ethanol as solvent in namd for MD simulations ?

From: Branko (bdrakuli_at_chem.bg.ac.yu)
Date: Fri Jul 31 2009 - 04:50:17 CDT

Hi Wang,

Try to use VegaZZ (free software @
http://www.ddl.unimi.it/vega/download.htm) to build cluster and prepare
your input. Vega can be used as NAMD (2.6 and 2.7b1) GUI and offer
user-friendly solvent cluster builder, as well as solvation tool.

Branko

Wang Yf wrote:
>
> dear all,
> how to use ethanol as solvent in namd for MD simulations ? could
> anyone can describe it in detail for me ?
> thanks a lot in advance!
> sincerely,
> wang.
>
>
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