Hi, my command line was:
MMPBSA.py -O -i _MMPBSA_gb.mdin -o FINAL_RESULTS_MMPBSA.dat -sp
com_wat.prmtop -cp com_gas.prmtop -rp rec_dry.prmtop -lp ligand_dry.prmtop
-y Prod_full.mdcrd -use-mdins
On 11 Nov 2015 17:49, "Bill" <ross.cgl.ucsf.edu> wrote:
> What was your command line?
>
> Bill
>
> On 11/11/15 1:26 AM, Soong Jiaxin wrote:
> > InputError: Unrecognized namelist cntrl
> >
> > My input file was:
> > Input
> > &cntrl
> > nsnb=99999, ntb=0,
> > surften=0.0072, extdiel=80.0, ncyc=0,
> > cut=999.0, imin=5, igb=2, intdiel=2,
> > /
>
>
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Received on Wed Nov 11 2015 - 02:30:03 PST
