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#17824 - 05/01/08 02:45 AM How to build small molecule like H2, N2 and CH4
abdel Offline
Forum Member

Registered: 05/01/08
Posts: 5
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

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#17825 - 05/01/08 11:36 AM Re: How to build small molecule like H2, N2 and CH4 [Re: abdel]
rmv Online   content

Forum Member

Registered: 09/17/03
Posts: 8388
Loc: 39 03 48 N, 77 06 54 W
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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