Minimization without MD

From: Simon Kit Sang Chu (simoncks1994_at_gmail.com)
Date: Thu Jul 16 2015 - 15:37:39 CDT

• Next message: Gianluca Interlandi: "Re: namd ibverbs"
• Previous message: Maxime Boissonneault: "Re: namd ibverbs"
• Next in thread: Ajasja Ljubetič: "Re: Minimization without MD"
• Reply: Ajasja Ljubetič: "Re: Minimization without MD"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi,

I have been struggling in a unstable system. The VDW and electric potential
explode right at the beginning. Therefore I want to do the minimization
without MD. Is there such function in NAMD? Where to specify it?

Thanks,
Simon

• Next message: Gianluca Interlandi: "Re: namd ibverbs"
• Previous message: Maxime Boissonneault: "Re: namd ibverbs"
• Next in thread: Ajasja Ljubetič: "Re: Minimization without MD"
• Reply: Ajasja Ljubetič: "Re: Minimization without MD"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:21:58 CST