AMBER Archive (2005)

Subject: AMBER: ew_legal.h

From: Yam (yamwaikeat_at_yahoo.com)
Date: Mon Nov 14 2005 - 20:54:03 CST


Dear all,

Hello. I encounter this problem when I tried to run MD
in vacuo.

Ewald PARAMETER RANGE CHECKING:
 parameter alpha: (unit cell angle) has value
0.16503-263
 This is outside the legal range
 Lower limit: 0.30000E+02 Upper limit: 0.15000E+03
 Check ew_legal.h

Anyone know what could be the problem? I have set
ntb=0.

Thanks.

regards,
Yam

                
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