#template
#200 steps of minimization, distance-dependent dielectric in AMBER8

maxcyc=200, imin=1, ntmin=1, ncyc=100, nsnb=20,
igb=0, ntb=0, dielc=1.0, ntpr=10,
ntr=1,
cut = 15.0


eedmeth=5,

restrain ligand atoms except H
5.0
FIND
* * M *
* * S *
* * B *
* * 3 *
* * 4 *
* * 5 *
* * 6 *
SEARCH
RES 246
END
restrain protein atoms except H, ligand, and wat
22.0
FIND
* CT * *
* C  * *
* C* * *
SEARCH
RES 1 245
END
restrain protein atoms except H
22.0
FIND
* CA * *
* CB * *
* CC * *
* CK * *
* CM * *
* CN * *
* CQ * *
* CR * *
* CV * *
* CW * *
SEARCH
RES 1 245
END
restrain protein atoms except H
22.0
FIND
* N3 * *
* N  * *
* N* * *
* N2 * *
* NA * *
* NB * *
* NC * *
SEARCH
RES 1 245
END
restrain protein atoms except H
22.0
FIND
* OH * *
* OS * *
* O  * *
* O2 * *
* P  * *
* S  * *
* SH * *
SEARCH
RES 1 245
END
END


