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
>> http://q4md-forcefieldtools.org/REDS-Development/Demo2-Files/Project.config
>
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
