Re: AMBER: Trajectory Problem

From: Thomas E. Cheatham, III <>
Date: Tue, 27 Sep 2005 10:59:50 -0600 (Mountain Daylight Time)

> Date: Tue, 27 Sep 2005 09:40:45 -0700
> From: Wei Zhang <>
> ptraj uses normal file operating interface which doesn't support file
> more than 2 GB on a 32-bit system.

One can overcome this file size limitation of LINUX 32-bit systems by
adding in the following compile/link options:


(either to the ptraj standalone makefile or to the MACHINE file
(MACHINEFLAGS or to the config.h CFLAGS depending on how ptraj is made)

With this change, I have successfully created/read trajectory files larger
than 2GB. Let me know of troubles.


\-/ Thomas E. Cheatham, III (Assistant Professor) College of Pharmacy
-/- Departments of Med. Chem. and of Pharmaceutics and Pharm. Chem.
/-\ Adjunct Asst Prof of Bioeng.; Center for High Performance Computing
\-/ University of Utah, 30 S 2000 E, SH 201, Salt Lake City, UT 84112
/-\ (801) 587-9652; FAX: (801) 585-9119
\-/ BPRP295A

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Received on Tue Sep 27 2005 - 18:53:00 PDT
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