AMBER Archive (2004)

Subject: AMBER: crosslink a residue with a small molecule

From: Eric Hu (yhu_2003_at_yahoo.com)
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:
[string]
usage: crossLink <res1> <connect> <res2> <connect>
[bondorder]

Thank you!

Eric

__________________________________
Do you Yahoo!?
Yahoo! Hotjobs: Enter the "Signing Bonus" Sweepstakes
http://hotjobs.sweepstakes.yahoo.com/signingbonus

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu