[gmx-users] element symbol column in a pdb using editconf

Rebeca García Fandiño regafan at hotmail.com
Tue Jul 7 16:15:39 CEST 2015


Dear Gromacs users,
I am trying to obtain a pdb file, using editconf, with the element symbol column.

Looking for that, I found this revision:

http://redmine.gromacs.org/issues/1307

It
 seems to be resolved, however, I am using GROMACS 5.0.4 and it is not 
working. Is there any way to retain the element symbol column in the 
pdb  using editconf?

Thanks a lot in advance,

Best wishes,

Dr. Rebeca Garcia
Santiago de Compostela University
Spain
 		 	   		  

                                                                                                                                                                     		 	   		  


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