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AMBER Archive (2001)Subject: analysis problem
From: Eoin Galligan (paxeg_at_nottingham.ac.uk)
Hi
I'm having a problem with the analysis module ANAL. My in file is read but then it stops. The files are below - any ideas where I'm going wrong?
Regards, Eoin Galligan
anal input for dhfr mtx
---------------------------------------------------------------
1. RESOURCE USE:
Memory Use Allocated Used
| Max Nonbonded Pairs: 1397082 packed 2 to a machine word
2. DATA CONTROL:
anal input for dhfr mtx
NTX = 1 NTXO = 0 NRC = 0
NTB = 0 BOXX = 0.000 BOXY = 0.000
NTF = 1 NTID = 0 NTN = 2
RCUT = 999.00 SCNB = 2.00
IMAX EBMAX EANMAX EDIHMAX ENB14MAX
EEL14MAX ENBMAX EELMAX EHBMAX ECONSMAX
3. A T O M I C C O O R D I N A T E S
rdparm transformed trajectory, parm was dhfr-mtxwat.top
NUMBER OF ATOMS = 2611
End of Input File Reached
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