AMBER Archive (2008)

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

From: Lin, Pohan (pohan.lin_at_ttu.edu)
Date: Tue Jun 03 2008 - 14:56:32 CDT

Thanks. My problem is solved.

 

Po-Han

 

From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
Of Junmei Wang
Sent: Tuesday, June 03, 2008 8:19 AM
To: amber_at_scripps.edu
Subject: Re: AMBER: Missing gaff angle parameters for dimethyl esters

 

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

Best

Junmei

On Mon, Jun 2, 2008 at 4:20 PM, Lin, Pohan <pohan.lin_at_ttu.edu> 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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