Dear Amber Community,
This is for your kind attention that my email (below) which I sent twice
before was not answered till date. I am not sure whether there are any
problem in sending the mail from my part, since I am not getting a copy of
this mail in my inbox. Kindly help me since I cannot proceed further
without resolving the problem (discussed below).
Thanks & Regards,
Debolina Mitra
---------- Forwarded message ----------
From: Debolina Mitra <contact.debolinamitra.gmail.com>
Date: Fri, May 25, 2012 at 3:09 PM
Subject: Reallocation of memory space
To: amber.ambermd.org
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
--
Dr. Debolina Mitra
Assistant Professor
RBC College, Naihati
North 24-Parganas
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Received on Mon Jun 04 2012 - 06:00:05 PDT
