Hi Bill,
thanks for the explanatin !
BTW maybe it would be also useful to take this issue in account for the
next bugfix (to "hack" directly rdinp.f or mm_pbsa_createinput.pm as I
did).
Best wishes,
Marek
Dne Wed, 21 Sep 2011 21:24:56 +0200 Bill Ross <ross.cgl.ucsf.edu>
napsal/-a:
>> rdinp.f:51: scee = 2.0
>>
>> For some reason the default value for scee is set to 2.0
>
> That was the default before the Cornell et al. force field was
> released. Nmode is behind the times here.
>
> Bill
>
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Received on Wed Sep 21 2011 - 17:00:03 PDT
