Re: Re: Fw: 来自"ZOU Changling" <>的邮件

From: ZOU Changling (
Date: Wed Nov 18 2015 - 19:34:42 CST

Dear Abhishek:
 I have achieved the structure of Auranofin by Material Studio.But I don not know how to use the VMD tool to design parameters,could you please say clearly or give me the literature about it ?Besides,charmgui is what?You can give me more information about charmgui?


发件人: "Abhishek TYAGI" <>
发送时间: 2015年11月18日 星期三
收件人: "Namd Mailing List" <>, "ZOU Changling" <>
主题: namd-l: Re: namd-l: Fw: 来自"ZOU Changling" <>的邮件

Dear Zou,

You can follow the fftk (VMD) tool to design the structure and parameter files. Alternatively, you may choose charmgui, this is also good idea.

Abhishek Tyagi

PhD Student

Chemical and Biomolecular Engineering

Hong Kong University of Science and Technology

Clear Water Bay, Hong Kong <> on behalf of ZOU Changling <>
Sent: Wednesday, November 18, 2015 2:26 PM
To: Namd Mailing List
Subject: namd-l: Fw: 来自"ZOU Changling" <>的邮件

I want to look for the parameters of Auranofin ,if someone has the information,please write to me.

ZOU Changling

This archive was generated by hypermail 2.1.6 : Tue Dec 27 2016 - 23:21:33 CST