AMBER Archive (2004)

Subject: AMBER: restraintmask and ambmask

From: Oliver Hucke (ohucke_at_u.washington.edu)
Date: Wed Apr 21 2004 - 19:17:24 CDT

Dear All,

I am trying to use the restraintmask keyword of amber8 to apply
restraints to all residues which are further than 5.0A away from a
specific residue:

restraintmask = :534 >:5.0,

This line lets sander crash with
"too many values for NAMELIST variable, unit 5 ..."

Whe I use

restraintmask = ":534 >:5.0",

sander runs but in the output file I find:
"Mask :534 >:5.0; matches 0 atoms

With ambmask the selection string ":534 >:5.0" works.

Is the complete ambmask syntax not yet available in sander8?

Thanks very much,

Oliver 

-- 
_______________________________________________________________

Oliver Hucke, Dr.
                               Health Sciences Building - K418C
University of Washington      1959 NE Pacific St.
Dept. of Biochemistry         phone: (206) 685 7046
Box 357742                    fax  : (206) 685 7002
Seattle, WA 98195-7742        email: ohucke_at_u.washington.edu
_______________________________________________________________

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