[gmx-users] How can I install Gromacs on Window XP?

Hello, How can I install Gromacs on Window XP? Thanks a lot! Hero __ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com ___ gmx-users mailing list

[gmx-users] Water flow through Carbon Nanotube

Hello, I am a new user of Gromacs and trying to simulate water flowing in nanotubes. Can I get some idea on how to do this? Where can I have a sample? Thank you very much! Jue Chen Be a better frien

[gmx-users] structure files of water and CNT

Hello, I am a new user of Gromacs and want to simulate water transport through Carbon nanotubes. Where can I find structure files of water and CNT? Thank you so much! Be a better friend, newshound, and

[gmx-users] water flow in CNT

Dear All, I am simulating water transport in CNT under pressure. If I use periodic boundary conditions, how can I scale the water velocity? Otherwise the velocity will be going to heaven! Thank you very much! Hero

[gmx-users] water in channel by "Dowser"

Dear Gramacs, Anybody know where I can get "Dowser" for water in channel? Thanks a lot! [gmx-users] water in channel Eric Jakobsson jake at ncsa.uiuc.edu Mon Jan 19 22:50:02 CET 2004 Previous message: [gmx-users] water in channel Next message: [gmx-users] water in channel Messages sorted by:

[gmx-users] Water in graphite plates

Dear All, I want to model water transport sandwitched within two graphite surfaces. Do you know how to generate the structure file of graphite surface? Thank you very much! Hero Be a better friend

[gmx-users] CNT

Hello, I plan to insert water molecules into a Single Wall NanoTube, I have generated the structure file of SWNT, but when I use: pdb2gmx -f SWNT_6_6_144.pdb -p SWNT.top -o SWNT.gro to form the gro file, I got the following error: Fatal error: Residue 'UNK' not found in residue topol

[gmx-users] Re: CNT

! Jue Message: 4 Date: Mon, 21 Apr 2008 13:21:12 -0400 From: "Justin A. Lemkul" <[EMAIL PROTECTED]> Subject: Re: [gmx-users] CNT To: Discussion list for GROMACS users Message-ID: <[EMAIL PROTECTED]> Content-Type: text/plain; charset=ISO-8859-1 Quoting Hero <[EMAIL PROTECTE

[gmx-users] x2top error in CNT simulation

Dear All, I am trying to simulate water flow in CNT and just followed the website: http://cs86.com/CNSE/SWNT.htm I did the following: 1. ffgmx.n2t must change this files name to ffencadv.n2t and add the following 2 lines: C C 1 C ; CNT Carbon with one bond C C 2 C C ; CNT double bonded Carb

[gmx-users] Re: x2top error in CNT simulation (David van der Spoel)

Dear Gromacs, Actually, the error is for all the 144 atoms on SWNT_6_6_144: when I ran: x2top -f SWNT_6_6_144.pdb -o SWNT_6_6_144.top -r SWNT_6_6_144.rtp Error message appeared: Can not find forcefield for atom C-1 with 2 bonds . Can not find forcefield for atom C-143 with 2 bonds Can not fi

[gmx-users] x2top error in CNT simulation on Gromacs 3.3.3

Dear All, I am trying to simulate water flow in CNT and just followed the website: http://cs86.com/CNSE/SWNT.htm I did the following: 1. ffgmx.n2t must change this files name to ffencadv.n2t and add the following 2 lines: C C 1 C ; CNT Carbon with one bond C C 2 C C ; CNT double bonded Carb