[gmx-users] Standard residue of C4S shown as missing in residue topology database

Libin libin.babu at okstate.edu
Thu Feb 20 05:49:05 CET 2014


I downloaded chondroitin 4 sulfate from online PDB data bank and gave it as
input to pdb2gmx. But, it is showing error as GC4, ASG and BDP are missing
in residue topology database. I have found that these are residue names that
are commonly used. So, is it wise to add the residue to the rtp file? or is
there any other option. Please advise. Also, if I need to add it to rtp
file, from where can I get the necessary data to be added?

Thank you.


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