If you plan a higher basis set/theory, i would say that the disk space in the servers you listed will not be sufficient. The 'smallest' server hard drive I see nowadays is 500GB, they are not that expensive and is the minimum spec I would put in a server dedicated to calculations. You could probably get away with 250GB if your budget is limited.

Regards,

JF Prieur

2009/12/8 Serdar Bado?lu sbadoglu .. gazi.edu.tr <owner-chemistry%a%ccl.net>

Sent to CCL by: "Serdar Bado?lu" [sbadoglu^-^gazi.edu.tr]
Meanwhile Daniel Jana warned me about something. Thank you Daniel.

I'd better tell you something about our calculations, so you can comment
better.

Up to now we carried out our calculations on ordinary desktop PCs. Our
routine calculations are on molecules containing 20-25 atoms.
Optimization, frequency, energy, NMR, charge calculations; and the same
for complexes and dimers of the free ligand. Most of the time our
calculation level is B3LYP/6-311++G** for the free ligand, nowadays we
tend to use cc-pVxZ sets for energy calculations, MP2 rarely used at the
moment. Our plan is to work on larger molecules and/or we plan to do
higher level of calculations.

Regards.

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Excuse cross postings Good day, ChemAxon's 2010 European User Group Meeting will be held on Wednesday and Thursday, May 19-20th at the Danubius Gellert Hotel, Budapest, Hungary. The meeting will preceded by a training day on May 18th. The User Group Meeting will feature oral and poster presentations from ChemAxon users, scientists, developers and partners as well as our usual range of social events to mix, speak and enjoy with staff and peers. We are inviting those interested in presenting at the meeting to submit abstracts for review. The deadline for receipt of oral abstracts is February 26th. To find out more and submit your abstract please visit: http://www.chemaxon.com/UGM/10/index.html. The presentations archive, including original presentations and meeting reports from Wendy Warr and Yvonne Martin, is here: http://www.chemaxon.com/UGM/ugm_land.html, video from the last meeting (San Diego) is available at our vimeo UGM channel here: http://vimeo.com/channels/ugm We hope you can join us for what has proven to be a most interesting and enjoyable cheminformatics event. See you there. Alex