From: AnkiReddy katha (kathaankireddy_at_gmail.com)
Date: Sat Jun 20 2015 - 16:17:31 CDT
http://norma.mbg.duth.gr/index.php?id=research:howto:using_the_opls-aa_forcefield
As suggested above
vdwGeometricSigma yes
should be used i think
Best
Anki
On Sat, Jun 20, 2015 at 10:28 PM, farzad kiani <
farzad_kiani1364_at_remove_yahoo.com> wrote:
> Dear Oguz
>
> I do not know if OPLS force fields are available in NAMD config file. If
> they are available just replace atom types in psf file with those in NAMD
> config file.
>
> If they are not available do as the below.
>
> Firstly you should find force field parameters such as bonds, angles,
> dihedrals etc for OPLS in the references that most of them are experimental
> data.Then define these parameters as same as NAMD's config file. You should
> add them to NAMD config file. Notice to the NAMD formulations for these
> parameters when you add them to the config file. Finally, replace atom
> types in psf file with those you add to the config file.
>
> Regards
> Farzad Kiani
>
> Sent from Yahoo Mail on Android
> <https://overview.mail.yahoo.com/mobile/?.src=Android>
> From:"oguz gurbulak"
> Date:Sat, Jun 20, 2015 at 21:17
> Subject:namd-l: OPLS force field in NAMD
>
> Dear NAMD Users,
>
> I want to perform MD simulations with using OPLS force filed for my study--001a1140f33c8814750518f99187--
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