[gmx-users] Only triclinic boxes

Rahul Banerjee rahulbanjee at yahoo.co.in
Tue May 13 14:32:02 CEST 2003

Dear Gromacs users,
		I am getting a strange error when I run mdrun
program for MD. It says,
Warning: Only triclinic boxes with the first vector
parallel to the x-axis and the second vector in the
xy-plane are supported.
 Box (3x3):
 Box[    0]={         nan,          nan,          nan}
 Box[    1]={         nan,          nan,          nan}
 Box[    2]={         nan,          nan,          nan}
         Can not fix pbc.

Afer that program ends due to Segmentation 
Although during Energy Minimisation step this warings
do not occur. Can you please tell me why so happens
and also how to overcome this?

Thanking you in anticipation,

Rahul Banerjee

Rahul Banerjee, MMDD,
Dr. Reddy's Laboratories Ltd. : Discovery Research,
Bollaram Road, Miyapur, Hyderabad 500 050, India.
Phone: +91-040-23045439 Ext. 290/ 291, 9849384826(M)
Visit us: www.drreddys.com

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