Dear Amber users,
I am going to make simulation of a protein with covalently bound inhibitor.
My inhibitor will differ from the one in original pdb file.
How should I better edit it preserving the connectivity and avoiding
entries in pdb file
like "unknown atom", etc.?
Is possible to do it with xLeap editor or VMD or maybe another software?
Using Maestro and then pdb4amber led to the isolated "unknown atoms".
Or can I edit the pdb file manually as well?
Kind regards,
Nick
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 12 2016 - 07:30:02 PST
