Dear RESP developers,
I am trying to generate RESP charges for a charged ligand (-2) in order to
perform protein+ligand MD simulations using Amber. The ligand was
optimized using HF/6-31G* and was then submitted to the RED RESP online
server. I have submitted the job for more than 3 times. Each time the job
gets terminated due to optimization issues as the program (GAMESS or
Gaussian) runs out of optimization cycles. The recent submitted job id was
P15338.
Is there a way you can help me out to generate RESP charges for the ligand?
Thanks,
Mani
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Received on Wed Aug 06 2014 - 08:00:02 PDT
