Re: LJ parameters for Pd surface

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri May 06 2016 - 08:36:59 CDT

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On Fri, May 6, 2016 at 9:33 AM, Madhulika Gupta <gmadhulika1909_at_gmail.com>
wrote:

> Dear All,
> Can some one help me to find LJ parameters for Pd surface in NAMD. Most of
> the literature has CVFF force field for metals which can not be used in
> NAMD as it has both 12-6 and 9-6 LJ potential.
> Please suggest values that can be used to model Pd surface in NAMD.
>

​NAMD supports tabulated potentials. please check the user's guide.

axel.​

>
> Thanks in advance
> Madhulika Gupta
>
> --
> Madhulika Gupta
> Research Scholar
> Department of Chemistry
> Indian Institute of Technology, Delhi
> New Delhi-110016
>

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

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