From: Huy N. Ha (Huy.Ha_at_vcp.monash.edu.au)
Date: Fri Apr 27 2007 - 07:39:57 CDT
Well, what i'm particularly after is an example of the content that would be in that GVX.top file (the parameter/topology file, parmtop format used by AMBER) not the setup of the NAMD configuration file to use with an AMBER force field, which is what i think you're referring to. Hope that clarifies it?
Mr. Huy Ha
B. Med. Chem. Honours Student
Dept. of Medicinal Chemistry
Victorian College of Pharmacy
Monash University
381 Royal Parade
Parkville 3052
Phone No: 99039136
-----Original Message-----
From: wang [mailto:c00jsw00_at_nchc.org.tw]
Sent: Fri 4/27/2007 5:43 PM
To: Huy N. Ha; namd-l_at_ks.uiuc.edu
Subject: Re: namd-l: Amber PARM Input File Example?
Huy N. Ha ??:
> I was wondering if anyone has an example of a PARM format file,
> generated via AMBER 6+ (preferably 7 and above).
> I am planning to use the AMBER force field, and generate custom PARM
> files to use with NAMD. TIA
>
> Mr. Huy Ha
> B. Med. Chem. Honours Student
> Dept. of Medicinal Chemistry
> Victorian College of Pharmacy
> Monash University
> 381 Royal Parade
> Parkville 3052
> Phone No: 99039136
>
Hi ,
Followed the example :
______________________________________________________________
# Input
amber on # Specify this is AMBER force field
parmfile GVX.top # Input PARM file
ambercoor GVX.crd # Input coordinate file
_______________________________________________________________
good luck
Y.T Wang
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