[gmx-users] NOE distance restraints in Gromacs

Chris Spronk cspronk at nmr.kun.nl
Mon Oct 8 11:57:08 CEST 2001


I want to start a restrained MD-simulation of a protein using NOE
distance restraints.
The original structure and restraints have been generated in/for XPLOR.
Does anyone have conversion scripts to go from XPLOR to Gromacs format?

Thanks in advance


Chris Spronk 		     phone:	+31/+24/365-2127
                             fax  : 	+31/+24/365-2112 
e-mail: cspronk at nmr.kun.nl                              
SON-NSR Center, Laboratory of Biophysical Chemistry   
University of Nijmegen                                
Toernooiveld 1                                        
NL-6525 ED Nijmegen                                    
The Netherlands                                       

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