AMBER: restraintmask and ambmask

From: Oliver Hucke <ohucke.u.washington.edu>
Date: Wed, 21 Apr 2004 17:17:24 -0700

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.u.washington.edu
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Received on Thu Apr 22 2004 - 01:53:00 PDT
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