AMBER Archive (2008)

Subject: AMBER: mwcovar limit?

From: Carra, Claudio (JSC-SK)[USRA] (
Date: Mon Dec 29 2008 - 16:31:27 CST

Dear All,

I was trying to test mwcovar as initial step to perform

a quasiharmonic analysis, with amber10.

Unfortunately I got a segmentation fault

when I consider more than ~10917 atoms, 722 residues, ~4Gb RAM.

I've no limit in RAM use and the memory available is more than 10Gb,

so technically it should work for more atoms.

My question is if there are any limit in the size of the system analyzed

with mwcovar.

thanks a lot





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