AMBER Archive (2008)

Subject: AMBER: EVB allocation problem

From: sai kumar ramadugu (
Date: Fri Sep 12 2008 - 11:08:41 CDT

Dear amber users.

I'm running EVB molecular dynamics for two states of a dye molecule in ionic
liquid. The total number of atoms in the system is 9300.
i got the error message as

ERROR: allocation problem for dia_mv(n)% t2_kl

But its running fine with the smaller system (approximately 6300 atoms)

Does EVB has a limitation with the size of the system.

Thank you

Sai K. Ramadugu
The Margulis Lab,
Dept of Chemistry,
Univ of Iowa

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