Thanks. My problem is solved.
Po-Han
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf
Of Junmei Wang
Sent: Tuesday, June 03, 2008 8:19 AM
To: amber.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.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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Wed Jun 04 2008 - 06:07:49 PDT
