Hello,
I am getting the following problem after restarting MD. Energy,
temp, boxsize seem to be fine at the end of 60ps. Pressure and
vanferwaal's explode at restart. Can anyone tell me a way out please?
Thannks,
-Sanjeev
Error: Segmentation fault.
Energies:
------------------------------------------------------------------------------
NSTEP = 1 TIME(PS) = 60.002 TEMP(K) = NaNQ PRESS =**********
Etot = NaNQ EKtot = NaNQ EPtot = ************
BOND = 458.6767 ANGLE = 1172.2615 DIHED = 956.8288
1-4 NB = 498.1537 1-4 EEL = 978.7413 VDWAALS = ************
EELEC = 68018.6749 EHBOND = 0.0000 CONSTRAINT = 0.0000
EKCMT = 3606.3940 VIRIAL = ************ VOLUME = 142244.5623
Density = 1.0381
Ewald error estimate: 0.1009E-03
Received on Fri Aug 31 2001 - 03:16:37 PDT
