AMBER Archive (2002)

Subject: Re: GROUP Specification - Error decoding variable

From: Yongjun Jiang (yjjiang_at_mail.shcnc.ac.cn)
Date: Thu May 30 2002 - 03:23:57 CDT

Maybe it would be helpful to you as below.

Good luck.

Jiang

>initial DNA_vacuum:minimization to fix up hydrogen positions
>
> &cntrl
> imin=1, timlim=999999,
> cut=9.0, nsnb=25,
> ntb=0, igb=2,
> ntc=1, tol=0.0005,
> ntf=1,
> ntpr=50,
> ibelly=1, ntr=0,
> ntmin=1, dx0=0.1, dxm=0.5, drms=0.05,
> maxcyc=500, ncyc=400,
> &end
Adding one line here.....
>FIND
>* H * *
>* H1 * *
>* H2 * *
>* H3 * *
>* H4 * *
>* H5 * *
>* HA * *
>* HC * *
>SEARCH
>RES 1 99
>END
>END

                                 
               Yongjun Jiang
               yjjiang_at_mail.shcnc.ac.cn
                                        2002-05-30