Re: help with adding a new force filed into NAMD

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Thu Jun 15 2006 - 14:37:45 CDT

• Next message: Morad Alawneh: "Re: Re: vmd-l: psfgen: last CTER does not work"
• Previous message: Peter Freddolino: "Re: vmd-l: psfgen: last CTER does not work"
• In reply to: liu liuxiandong: "help with adding a new force filed into NAMD"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This is entirely dependent on whether the potential form for cvff is
compatible with namd. If so, just putting the parameters into the charmm
format and then using them should be fine. You might want to have a look
at NAMD wiki entries on other forcefields (Amber, OPLS).

Peter

liu liuxiandong wrote:
> Dear everyone,
>
> Could I add a new force field into NAMD, such as the cvff ?
>
> Good luck
>
> Xiandong Liu

• Next message: Morad Alawneh: "Re: Re: vmd-l: psfgen: last CTER does not work"
• Previous message: Peter Freddolino: "Re: vmd-l: psfgen: last CTER does not work"
• In reply to: liu liuxiandong: "help with adding a new force filed into NAMD"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:42:11 CST