Re: OPLS force field in NAMD

From: Peter Freddolino (petefred_at_umich.edu)
Date: Sat Jun 20 2015 - 22:20:00 CDT

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Hi Oguz,
Others have answered regarding OPLS. Any recent namd version should work with TIP4P-2005; just use
watermodel tip4
in the config file.

Best,
Peter

> On Jun 20, 2015, at 12:43 PM, oguz gurbulak <gurbulakoguz_at_REMOVE_yahoo.com> wrote:
>
> Dear NAMD Users,
>
> I want to perform MD simulations with using OPLS force filed for my study. What are the things that I should consider in order to use OPLS without any problem in NAMD ? I searched for a tutorial or an example NAMD simulation for OPLS force field, but I couldn’t reach any source. Could you please supply for example namd.conf , parameter and topology files for OPLS force filed ? And I’m also planning to use TIP4P2005 model for water molecules. Which NAMD version do I have to use both for OPLS and TIP4P2005 water model ? Could you please share your experience with me ?
>
> Thanks for the help.
>
>

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