AMBER Archive (2008)

Subject: AMBER: Error with a binary restart file

From: Kijeong Kwac (pine994_at_naver.com)
Date: Wed Mar 26 2008 - 18:07:51 CDT

Dear Amber users,

I have some problem with the binary format restart file.

I got a binary restart file with the option ntxo=0 from the previous run.

Then I tried to start the next MD run with the following mdin:

 &cntrl
 irest = 1, ntx = 6,
 nstlim = 20000, dt = 0.001, nsnb = 10,
 ntxo = 0, ntwr = 100,
 ntt = 1, temp0 = 298.0,
 cut = 9.0, scee = 1.2,
 ntb = 2, ntp = 2,
 ntf = 2, ntc = 2,
 ntwx = 500, iwrap = 1, ioutfm = 1,
 ntpr = 1,
 &end

But I got the following errer:

forrtl: severe (64): input conversion error, unit -5, file Internal
Formatted Read

The last part of mdout file is as follows (there is no message about error.):

| Flags: MPI
 getting new box info from bottom of inpcrd
| INFO: Old style inpcrd file read

Could you let me know what is wrong?

Sincerely,

Kijeong.
------------------------------------------------------------------------
NAVER :: Korea's No.1 search portal
www.naver.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu