[AMBER] solvation in a cubic box

From: shahab shariati <shahab.shariati.gmail.com>
Date: Wed, 25 Jan 2012 16:41:49 +0330

Dear all

I want to solvate my protein into a cubic box.

when I use solvatebox protein TIP3PBOX [ iso ] [ 8.0 ]

solvateBox: Argument #3 is type String must be of type: [list number]
usage: solvateBox <solute> <solvent> <buffer> [iso] [closeness]


what is suitable case for buffer?

how to solve this problem?

best regards,

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jan 25 2012 - 05:30:03 PST
Custom Search