peek_ewald_inpcrd

From: Andrew Aird <a.aird_at_physik.uni-stuttgart.de>
Date: Mon 7 May 2001 18:48:59 +0200

Dear amber users

I'm trying to minimize a very large system: # atoms about 100000!

When I start sander, it stops after a short while. I get the following error
message from the output file:


 ----------------------------------------------
 &cntrl



   1. RESOURCE USE:

 getting box info from bottom of parm
 getting new box info from bottom of inpcrd
 peek_ewald_inpcrd: SHOULD NOT BE HERE


I've solvated the system with xleap using the solvatebox command (WATBOX216).
The system looks OK. After producing the *.prmtop *.prmcrd file I've converted
them back to pdb using ptraj to look at the structure with vmd and again, it
looks OK.


Is there a maximum number of atoms with Amber6? And what does peek_ewald_inpcrd
mean? Did someone encounter a similar problem?

Thanks for any comments.


Andrew




---------------------------------------------------
Andrew Aird
3.Physikalisches Institut
Universitšt Stuttgart
Pfaffenwaldring 57
D 70569 Stuttgart
Tel: +49 711 685-5232
e-mail: a.aird_at_physik.uni-stuttgart.de
---------------------------------------------------
Received on Mon May 07 2001 - 09:48:59 PDT
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