From: Grace Shen (Lingling.Shen_at_bnpi.com)
Date: Fri Dec 16 2005 - 13:05:53 CST
Dear All:
After minimization, I obtained some warnings as followings:
-------------------------------------------------
Warning: Ignoring VDW parameter with negative epsilon:
AR 1.641 18.00 1.88
Warning: Ignoring VDW parameter with negative epsilon:
HE 0.205 2.00 1.4
Warning: Ignoring VDW parameter with negative epsilon:
KR 2.484 36.00 2.02
Warning: Ignoring VDW parameter with negative epsilon:
NE 0.396 10.00 1.54
Warning: Ignoring VDW parameter with negative epsilon:
RN 5.300 86.00 2.25
Warning: Ignoring VDW parameter with negative epsilon:
XE 4.044 54.00 2.16
Warning: VDW TYPE NAME PO4 MATCHES PARAMETER TYPE NAME P*
Warning: VDW TYPE NAME NP MATCHES PARAMETER TYPE NAME N*
Warning: VDW TYPE NAME N6R MATCHES PARAMETER TYPE NAME N*
Warning: VDW TYPE NAME NC MATCHES PARAMETER TYPE NAME N*
Warning: VDW TYPE NAME ST MATCHES PARAMETER TYPE NAME S*
Warning: VDW TYPE NAME NX MATCHES PARAMETER TYPE NAME N*
Warning: Ignored 245 bonds with zero force constants.
Warning: Will get H-H distance in rigid H2O from H-O-H angle.
Warning: Ignored 490 angles with zero force constants.
-----------------------------------------------------------
Could someone help me how to explain or where I can find the explanation?
Thanks,
Grace
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