[gmx-users] CYS1 or CYS2 not CYSH

Osmany Guirola Cruz osmany.guirola at cigb.edu.cu
Thu Dec 16 15:30:28 CET 2004

 I am doing a peptide simuation that have CYS but by default pdb2gmx put 
my CYS as CYSH and i need
that CYS deprotonated(and without s-s) i read the rtp files and found 
CYS1 CYS2 How can i use this residues. i probe change the pdb file (CYS 
--->CYS1) but pdb2gmx says CYSH :-(
What can i do?


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