removing bonds in psf

From: luca (
Date: Fri Sep 29 2006 - 05:44:13 CDT

Hi Olga,
1- The simple method for remove bon is not make bond in psf generation file.

2-You can use PATCH method in CHARMM topology file when make file.psf.
   See standard PATCH DISU for make S-S bond and similar.

3-You can remove bond in file.psf.
 Search bond section (like this 2909 !NBOND: bonds)
 and then remove couple of atom that form bond.
 If you remove a bond in psf file, you must check and remove all bending/angle
and torsion involved in bond... attention


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