Dear Armin,
Do you have irest=1 and ntx=5?
Can you post us your input file and restrt file. It is possible that the
machine crashed while writing the restart file. In which case there is not
much that can be done. More likely, however, is that you input file doesn't
specify that you are doing a restrt with velocities and box info (ntb>0 and
irest=1 and ntx=5).
All the best
Ross
/\
\/
|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk/ | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.
> -----Original Message-----
> From: owner-amber.scripps.edu
> [mailto:owner-amber.scripps.edu] On Behalf Of opitz.che.udel.edu
> Sent: 14 February 2005 11:13
> To: amber.scripps.edu
> Subject: AMBER: Restart Problem
>
> Dear Amber Community,
>
> I am running a simulation in Amber7. Last week the computer running it
> crashed. Upon trying to restart the simulation with the
> *.restrt file I
> get the following error message:
>
> --------------------------------------------------------------
> ------------------
> 1. RESOURCE USE:
> --------------------------------------------------------------
> ------------------
>
> | Flags: MEM_ALLOC MPI
>
> getting new box info from bottom of inpcrd
> | peek_ewald_inpcrd: Box info not found in inpcrd
>
> Why am I getting this message and how can I fix the restrt file to
> continue my simulation. I tried several different approaches,
> but none of
> them worked.
>
> Best Regards,
>
> Armin
>
>
> --------------------------------------------------------------
> ---------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Feb 14 2005 - 20:53:01 PST
