Re: Namd. Small molecules

From: jose correa (corrjose_at_gmail.com)
Date: Fri Mar 19 2010 - 21:37:57 CDT

• Next message: Hok-Hei Tam: "Cationic Dummy Atom models"
• Previous message: Roberto Rivera: "Namd. Small molecules"
• In reply to: Roberto Rivera: "Namd. Small molecules"
• Next in thread: Giacomo Fiorin: "Re: free energy changes of one subunit"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear Rivera
You need to make the ligand parameters, if you check the NAMD home, yo can
see a manual that can help you.
Best wishes
Jose Correa-Basurto
ESM-IPN, Mexico

2010/3/19 Roberto Rivera <boby55111_at_yahoo.com>

> Hello,
>
> What parameter file must be used if I want to analyse small molecules (N,
> O, S, H) like heterocycles (no proteins, no peptides, no nucleic acids)?
> I´m sorry by my simple question, I´m starting with Namd.
>
> Thanks in advance,
> Roberto Rivera
>
>
>
>

• Next message: Hok-Hei Tam: "Cationic Dummy Atom models"
• Previous message: Roberto Rivera: "Namd. Small molecules"
• In reply to: Roberto Rivera: "Namd. Small molecules"
• Next in thread: Giacomo Fiorin: "Re: free energy changes of one subunit"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:55 CST