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 0 0 0 0 1
0 0.0 0.0 0.0 0.0
1 0 2 1 999 1
999.0 2.0 1.2 1.0
0
ENERGY
GROUP1
RES 163
END
GROUP2
RES 15
END
END
STOP
---------------------------------------------------------------
Amber 5.0 ANAL: Static Analysis for Energy/Structure UCSF 1997
---------------------------------------------------------------
1. RESOURCE USE:
Memory Use Allocated Used
Real 500000 60998
Integer 800000 101459 (static)
| Max Nonbonded Pairs: 1397082 packed 2 to a machine word
2. DATA CONTROL:
anal input for dhfr mtx
NTX = 1 NTXO = 0 NRC = 0
NRCX = 0 NGRPX = 70 KFORM = 1
NTB = 0 BOXX = 0.000 BOXY = 0.000
BOXZ = 0.000 BETA = 0.000
NTF = 1 NTID = 0 NTN = 2
NTNB = 1 NSNB = 999 IDIEL = 1
RCUT = 999.00 SCNB = 2.00
SCEE = 1.20 DIELC = 1.00
IMAX EBMAX EANMAX EDIHMAX ENB14MAX
0 0.00 0.00 0.00 0.00
EEL14MAX ENBMAX EELMAX EHBMAX ECONSMAX
0.00 0.00 0.00 0.00 0.00
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
Received on Mon Oct 08 2001 - 06:12:22 PDT
