AMBER Archive (2007)Subject: RE: AMBER: PDB files
From: Hayden Eastwood (s0237717_at_sms.ed.ac.uk)
Date: Mon Apr 30 2007 - 12:20:14 CDT
Dear John
And I forgot to mention that you need to remove the gumph at the top of a
pdb file that contains all the brookhaven information. Also, if you have
more than one molecule in the pdb file it's important to have a "TER"
statement separating each molecule in the pdb file. This ensures that leap
treats them separately and avoids making them "bond" together when the
file's loaded.
Best
Hayden
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|