AMBER: Missing gaff angle parameters for dimethyl esters

From: Lin, Pohan <pohan.lin.ttu.edu>
Date: Mon, 2 Jun 2008 16:20:24 -0500

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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Received on Wed Jun 04 2008 - 06:07:32 PDT