Incorrect Atom Count

From: vivek behera (beheravivek_at_yahoo.com)
Date: Tue Feb 27 2007 - 09:02:17 CST

• Next message: dora guzman: "different output in processors"
• Previous message: Ugur Akgun: "Periodic Cell error on CO2 MD"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi,

I am using NAMD to model a system of about 12,000
atoms, mostly water. In the heating phase, I am using
my minimization data as input but I am getting the
error:

Info: SUMMARY OF PARAMETERS:
Info: 179 BONDS
Info: 441 ANGLES
Info: 534 DIHEDRAL
Info: 49 IMPROPER
Info: 0 CROSSTERM
Info: 89 VDW
Info: 0 VDW_PAIRS
FATAL ERROR: Incorrect atom count in binary file
dppcca_min.coor
Stack Traceback:
  [0] _Z17read_binary_coorsPcP3PDB+0x3d [0x827c80d]
  [1]
_ZN9NamdState14configListInitEP10ConfigList+0x72f
[0x827b02b]
  [2] _ZN9ScriptTcl9initcheckEv+0x5e [0x82ba15e]
  [3] _ZN9ScriptTcl3runEPc+0xaa [0x82b6ce6]
  [4] main+0x1d6 [0x80df36a]
  [5] __libc_start_main+0xd3 [0xb89e23]
  [6] dlopen+0x41 [0x80dbc41]

I am sure that I have the same number of atoms in my
minimization .coor, .vel., and .xsc files and in my
.pdb file. Does anyone know why I am getting this
error?

Thanks,
Vivek

 
____________________________________________________________________________________
TV dinner still cooling?
Check out "Tonight's Picks" on Yahoo! TV.
http://tv.yahoo.com/

• Next message: dora guzman: "different output in processors"
• Previous message: Ugur Akgun: "Periodic Cell error on CO2 MD"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:25 CST