ptraj-6.4/LES

From: Peter Varnai <Peter.Varnai_at_ibpc.fr>
Date: Mon 23 Sep 2002 11:18:25 +0200 (CEST)

Dear Amber-List,

ptraj-6.4 patched with bugfix.3 cannot convert a LES.rst
file with a new format prmtop to pdb:

Reading in LES information...

ERROR in safe_malloc: Error in alloc of 1717762176 bytes

I am not sure why it would need this huge memory ...

Any help is welcome!
Peter Varnai
Received on Mon Sep 23 2002 - 02:18:25 PDT