AMBER Archive (2007)

Subject: AMBER: setbox command error

From: priya priya (priyaanand_27_at_yahoo.co.in)
Date: Mon Aug 13 2007 - 11:18:16 CDT


Dear All,

I am doing MD using implicit solvent(AMBER9), i want to set box around my peptide of size 30.0.
For that i am using a command setbox unit vdw/center {buffer or buffer_xyz_list}.
setBox am22 vdw [30.0]
But i am not able to create a box the specified number.
I had added the bugfix.all file also in my $AMBERHOME directory.
Could anybody suggest what is wrong in my commad.
Regards
priya

       
---------------------------------
 Bollywood, fun, friendship, sports and more. You name it, we have it.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu