Hello Amber users
Thanks Abi for your reply:
I am using Amber 9 for the simulations. I want to calculate the non bonded
interaction energies for some atoms in the system, for that purpose i am
using the Anal module available in the Amber. While executing i am getting
the following error
....................................
Number of NB Res pairs =33325281 exceeds max = 390256
........................................
Please tell me, how can i rectify this problem ?
Following is my input file
......................................................................
1 0 0 0 0 1
0 0.0 0.0 0.0 0.0
7 0 0 0 0 0
99.0 2.0 1.2 1.0
1 10.0 10.0 10.0 10.0 10.0 10.0 20.0 10.0 10.0
ENERGY
first residue
RES 50
END
second residue (or group of atoms)
RES 944
END
END
STOP
....................................................................
Wating for your reply
Thanks & Regards
Gurpreet
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Received on Wed Oct 03 2007 - 06:07:14 PDT
