Re: [AMBER] R.E.D, alkene isostere, Gly-Pro, P9501

From: Fan Wang <>
Date: Fri, 10 Jan 2014 16:25:44 +0100

Dear Cecilia,

>> I am not a big fan ;-) of one atom type generated by R.E.D. Python in
>> this P9501 job: I would replace CA by CM in this case; we will correct
>> that; sorry for that...
>> A quick workaround until we correct this bug: just provide the full
>> list of FF atom types you want to use using:
>> MOLECULE1-ATMTYPE = your choice...
>> see

I just corrected this problem , I set this atom type to "CM"

best regards

Fan wang

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Received on Fri Jan 10 2014 - 07:30:02 PST
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