AMBER Archive (2002)

Subject: ptraj-6.4/LES

From: Peter Varnai (Peter.Varnai_at_ibpc.fr)
Date: Mon Sep 23 2002 - 04:18:25 CDT

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