AMBER Archive (2005)

Subject: RE: AMBER: read pdb back to xleap after solvation of chloroform

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu May 19 2005 - 22:56:58 CDT

> Why with TIP3PBOX is working even though my pdb does not have TER after each
>mol.

Don't know.. maybe WAT is hard-wired in the leap code.
Otherwise, check the residue attributes in leap.

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