rigidBonds water option

From: Hasan haska (hasanhaska_at_yahoo.com)
Date: Thu Feb 02 2012 - 01:48:22 CST

• Next message: R. Charbel Maroun: "Energy minimization of membrane"
• Previous message: Kei Sit: "RE: vmd-l: Gromacs analysis tools for Namd output"
• Next in thread: Chris Harrison: "Re: rigidBonds water option"
• Reply: Chris Harrison: "Re: rigidBonds water option"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear NAMD users,   I want to perform md simulations with the namd.conf file ( in attached ) in NVT ensamble for an interface system. The system includes water and one type of molecule . Also I want to use “rigidBonds water” option for equilibration and production run.  Does this cause any problems with the simulations when I do trajectory analysis ? Can I getconsistent results with experimental datas when I use “rigidBonds water” option?   Kind regards.

• application/octet-stream attachment: namd.conf

• Next message: R. Charbel Maroun: "Energy minimization of membrane"
• Previous message: Kei Sit: "RE: vmd-l: Gromacs analysis tools for Namd output"
• Next in thread: Chris Harrison: "Re: rigidBonds water option"
• Reply: Chris Harrison: "Re: rigidBonds water option"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:21:10 CST