AMBER Archive (2008)

Subject: Re: AMBER: Missing gaff angle parameters for dimethyl esters

From: Junmei Wang (
Date: Tue Jun 03 2008 - 08:19:25 CDT

Hi Po-Han,
You may run parmchk to get the missing parameters and load the file to LEAP
using loadamberparams command before save topologies.



On Mon, Jun 2, 2008 at 4:20 PM, Lin, Pohan <> wrote:

> Dear Amber developers,
> I am using LEaP program and gaff force field in AmberTools 1.0 to
> generate topology file for dimethyl esters. However, there is one missing
> angle parameter ( ce(cf) c os ) so parameter file cannot be saved. Have
> anyone experienced similar problem and solved it?
> Thanks,
> Po-Han

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