psfgen problem

From: Hemant Kushwaha (hemant.kushwaha_at_gmail.com)
Date: Fri May 20 2005 - 23:41:13 CDT

• Next message: Ragothaman Yennamalli: "RE: Error in running tutorial files"
• Previous message: Shahid Qamar: "Milestoning in NAMD"
• In reply to: Hemant Kushwaha: "NADP topology"
• Next in thread: Hemant Kushwaha: "NADP hydrogen zero"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi all,

I am trying to minimise my system with nadp inside the protein.......

I used psfgen to make psf and pdb files.....

I found that there is some illicit bond formation in NADP segment made
by psfgen and even the hydrogen it added is not visible in VMD ?????

Can anyone tell what is the problem and how can rectify mistakes done
by psfgen ?????

Thanks in advance

Hemant

• Next message: Ragothaman Yennamalli: "RE: Error in running tutorial files"
• Previous message: Shahid Qamar: "Milestoning in NAMD"
• In reply to: Hemant Kushwaha: "NADP topology"
• Next in thread: Hemant Kushwaha: "NADP hydrogen zero"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:40:47 CST