[AMBER] Reallocation of memory space

From: Debolina Mitra <contact.debolinamitra.gmail.com>
Date: Tue, 29 May 2012 11:53:17 +0530

Dear Amber community,

I am an user of Amber 11 and working with an amphiphile with a 16 carbon
atom chain. I have generated an output file of the molecule in Gaussian 03
(windows version). In order to extract the ESP files from the Gaussian
output file, I wrote the following command:

./espgen –i ctab.out –o ctab.esp

I got a message as:

Info: the number of the ESP exceeds the MAXESP(20000), extend the size and
reallocate the memory automatically.

I found that an ESP file is generated with a size of 1013KB, but the file
is not complete.



Kindly suggest what do I do next to generate a complete ESP file?

Regards,

Debolina Mitra




Dr. Debolina Mitra
Assistant Professor
RBC College, Naihati
North 24-Parganas
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Received on Mon May 28 2012 - 23:30:02 PDT
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