Well, at least the NAMD reader works...


Quote:
CHARMM> !read NAMD FILE "memb30.coor"
CHARMM> read NAMD FILE "memb30.restart.coor"
opening file memb30.restart.coor

CHARMM>

CHARMM> coor stat
STATISTICS FOR 68120 SELECTED ATOMS:
XMIN = -53.300504 XMAX = 55.834633 XAVE = -0.056126
YMIN = -55.419478 YMAX = 53.734237 YAVE = -0.268634
ZMIN = -37.261740 ZMAX = 45.160107 ZAVE = 1.756780
WMIN = 0.000000 WMAX = 0.000000 WAVE = 0.000000

CHARMM> energy

NONBOND OPTION FLAGS:
ELEC VDW ATOMs CDIElec SHIFt VATOm VSWItch
BYGRoup NOEXtnd NOEWald
CUTNB = 14.000 CTEXNB =999.000 CTONNB = 10.000 CTOFNB = 12.000
WMIN = 1.500 WRNMXD = 0.500 E14FAC = 1.000 EPS = 1.000
NBXMOD = 5
There are 0 atom pairs and 0 atom exclusions.
There are 0 group pairs and 0 group exclusions.
<MAKINB> with mode 5 found 146290 exclusions and 111112 interactions(1-4)
<MAKGRP> found 33970 group exclusions.
Generating nonbond list with Exclusion mode = 5
VEHEAP> Expanding heap size by 20709376 words.
Segmentation fault