[AMBER] tleap lipid residue splitting warnings

From: de Waal, Parker <Parker.DeWaal.vai.org>
Date: Sun, 16 Mar 2014 16:35:19 +0000

Hello Everyone,

I recently tried to set up a membrane bound protein simulation (AmberTools version 13.24 Amber version 12.21) following this tutorial -> http://ambermd.org/tutorials/advanced/tutorial16/An_Amber_Lipid_Force_Field_Tutorial.html

Everything seems to work until I try to load the pdb into tleap at which point a stream of warnings about split residues appears:

Warning: name change in pdb file residue 1 ;
 this residue is split into OL and PC.
Warning: name change in pdb file residue 1 ;
 this residue is split into PC and OL.
...

To check if there was an error in my pdb I also tried to use the charmmlipid2amber.x processed DOPC_128_Lipid11.pdb from the tutorial and the same warning appears.

Although I can still run a check and saveamberparm without errors is there a way to hide these warnings? Or do they mean that there is really an error in the pdb input file?

If anyone could provide any insight I'd greatly appreciate it.

Best,
Parker
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Mar 16 2014 - 10:00:03 PDT
Custom Search