AMBER Archive (2004)

Subject: Re: AMBER: Creating Parmtop files for NAMD

From: M. L. Dodson (bdodson_at_scms.utmb.edu)
Date: Tue Apr 13 2004 - 20:39:26 CDT

On Tuesday 13 April 2004 07:37 pm, Edward Patrick Obrien wrote:
> Dear All,
> I am trying to use the AMBER force-field in NAMD. The
> problem I have is creating the parameter topology file, in
> AMBER format, for use in NAMD.
>
> I do not own the AMBER package and thus do not have access
> to LEAP which can create this file.
>
> My QUESTION is, is their any way to create the parm file of
> the system without having access to the entire AMBER suite of
> software? Is there a stand alone version of LEAP I could
> download?
>
> Any help would be appreciated.
> Regards,
> Ed
>
> PS- I've tried using the Cornell94 force-field in CHARMM format
> already.
>

Look at nab: http://www.scripps.edu/case/

The nab distribution contains tleap, the non-gui version of LEaP. 

-- 
M. L. Dodson                                bdodson_at_scms.utmb.edu
409-772-2178                                FAX: 409-772-1790

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