David,
This seems to be working. Thanks a bunch.
Troy Bothwell
-----Original Message-----
From: David Case [mailto:case_at_scripps.edu]
Sent: Friday, November 03, 2000 9:33 AM
To: Troy Bothwell
Subject: Re: Restraints in Amber6
On Fri, Nov 03, 2000, Troy Bothwell wrote:
Your "group" input format is wrong:
>
> &cntrl
> imin=1,
> ncyc=50, maxcyc=1000,
> ntc=2, tol=0.000001,
> cut=9.0,
> ntpr=100,
> ntb=1,
> ntr=1,
> &end
> Group input for restrained atoms
> 100.00
> RES 1 28
> &end
> END
> END
The second "&end" card should not be there; also the "END" cards need
to start in column 1:
Group input
100.0
RES 1 28
END
END
...good luck...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
==================================================================
Received on Fri Nov 03 2000 - 11:36:52 PST
