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AMBER Archive (2001)Subject: Leap and parm/pert!
From: PRADIPTA Bandyopadhyay (pradipta_at_cgl.ucsf.edu)
Hi,
I have a problem with the total charge of my system
For exactly the same unit when I save as saveamberparm - the total chrage
I don't how I am getting this bizarre result?
I am doing the following things in Leap:
1) Loading my 4 non-standard residues.
3) using the BOND command to connect some of the new residues.
4) setBox to enforce periodicity ( I am getting the PDB file from an
4) saveamberparm or saveamberparmpert.
Any suggestion would be appreciated.
Pradipta
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