The subroutine peek_ewald_inpcrd in ew_setup.f appears to assume that
restart files are always formatted, and hence gives the following
error when one tries to start a simulation from an unformatted
restart file (using ntx=2 or 6):
Input/Output Error 148: Invalid character
In Procedure: peek_ewald_inpcrd
At Line: 2617
Statement: Formatted READ
Unit: Internal File
Record Number: 1
Current I/O Buffer:
<binary gibberish follows>
The subroutine seems to be nearly identical in AMBER7, so I presume
that version also suffers from the same problem. Had someone
intended to extend peek_ewald_inpcrd to handle unformatted restart
files as well?
Cheers,
- John
--
John Chodera <jchodera.ugcs.caltech.edu> | Mobile : 415 867-7384
Graduate Group in Biophysics, Dill lab | Lab phone : 415 514-4290
University of California, San Francisco | Lab fax : 415 502-4222
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Received on Mon Sep 26 2005 - 02:53:00 PDT
