Quoting Chiba Shuntaro <chiba.s.ac.m.titech.ac.jp>:
> >Why not using R.E.D. Server? any researcher can use 8 cpu cores...
> Thank you for your offer.
>
> However my target molecule consists of over 100 atoms
> and number of initial structures will be no less than 10.
I forgot...
As an example, the "F-87" R.E.DD.B. project by E. Vanquelef was
carried out with R.E.D. Server: this R.E.D. IV job used 110 P2N input
files and 310 molecular electrostatic potential computations were
done; the RESP fit involved nmol=310 structures (molecules,
conformations & orientations).
regards, Francois
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Received on Wed May 18 2011 - 04:30:03 PDT
