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 was any
problem in sending the mail from my part. Kindly help me since I cannot
proceed further without resolving the problem.
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?
Thanks & Regards,
Debolina Mitra
--
Dr. Debolina Mitra
Assistant Professor
RBC College, Naihati
North 24-Parganas
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jun 07 2012 - 23:30:02 PDT
