From: udbhav ojha (udbhav_at_ismu.ac.in)
Date: Mon Mar 29 2010 - 08:47:36 CDT
Dear All,
My name is Udbhav Ojha and I am trying to use NAMD to my 256 atoms (8*8*4)
system of argon. But, after replicating one argon unit and creating a block
out of it and then after generating the psf file for the block, as soon as i
run NAMD, an error shows
-------------------- Processor 0 Exiting : Called CmiAbort
----------------------
Reason: FATAL ERROR: Stucture(psf) file is either in CHARMM format (with
numbers for atom types, the X-PLOR format using names is required) or the
segment name field is empty.
CHARM++ fatal error:
FATAL ERROR: Stucture(psf) file is either in CHARMM format (with numbers for
atom types, the X-PLOR format using names is required) or the segment name
field is empty.
Kindly guide me through this.
Regards,
Udbhav
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:57 CST