How to build small molecule like H2, N2 and CH4

Posted by: abdel

How to build small molecule like H2, N2 and CH4 - 05/01/08 02:45 AM

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
Posted by: rmv

Re: How to build small molecule like H2, N2 and CH4 - 05/01/08 11:36 AM

Suggested reading:

rtop.doc
toppar/top_all22_prot.inp

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