On Tue, Mar 25, 2014, Urszula Uciechowska wrote:
> I changed it to RES but still getting error:
>
> My input file is the following:
>
> energy minimization
> &cntrl
> imin = 1,
> maxcyc = 2000,
> ncyc = 250,
> cut = 10,
> ntb = 1,
> ntr = 1,
> /
> Hold the DNA-protein fixed
You need a weight value here. This is covered in Appendix B in the Amber11
Manual, (and add analogous places in the Amber12 manual).
> RES 1 289
> END
> END
...dac
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Received on Tue Mar 25 2014 - 08:30:05 PDT
