AMBER Archive (2004)

Subject: AMBER: crosslink a residue with a small molecule

From: Eric Hu (
Date: Wed Jan 21 2004 - 15:41:08 CST

Hi I want to link a residue with a small molecule for
a covalent md run. I have the pdb file for the small
molecule. I wonder if anyone can show me an example of
using crosslink in leap since I kept getting error
message such as
crossLink: Argument #2 is type Double must be of type:
usage: crossLink <res1> <connect> <res2> <connect>

Thank you!


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