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How to build small molecule like H2, N2 and CH4
#17824 05/01/08 06:45 AM
Joined: May 2008
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abdel Offline OP
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Hi guys,

I am beginner in CHARMM, may I ask you please How can I build small molecules like H2 N2 or CH4 ( methane ).

I need to perform some basic steps to know how charmm is doing the calculations.

Thanks a lot for your help and support.
Abdel

Re: How to build small molecule like H2, N2 and CH4
abdel #17825 05/01/08 03:36 PM
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rmv Online Content
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Suggested reading:

rtop.doc
toppar/top_all22_prot.inp

Files in the toppar/stream subdir with the word 'model' in their names.


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