[gmx-users] How to use the B-T potential with Gromacs

Hello, all GMX group and users, I'm axially compressing a Carbon Nanotube (CNT) with GMX, using AFM-Pull. Many referrences say the Brenner-Tersoff potential is employed to simulate the bonds and angles in CNT. I wonder whether it could be used in GMX and HOW. Has anyone tried that? Gr

[gmx-users] an AFM Pulling failed

hi, gmx group and all gmx usrs, I am  doing some MD simulations on CNT's (carbon nanotube) mechanical properties with GROMACS.   first of all, thanks very much for all the suggestions before. I finally got a stable CNT structure with those helps.   I am in trouble again. May anyone help me out:  

[gmx-users] errors on carbon nanotube

Hi,GMX group and other users:I am a gromacs(version 3.3) user. I want to do carbon nanotube(CNT) MD.Months ago, when I ran grompp, she told me that something was wrong.(see http://www.gromacs.org/pipermail/gmx-users/2006-April/021092.html)After i got suggestions from GMX group and other users (real

[gmx-users] A question about general MD procedure

Hi,dear GMX group and other users: First of all, I wanna thank Yang Ye, David, Mark and others for your instant replies to most our online questions. I am a new user of gromacs(version 3.3). I want to do carbon nanotube MD (to obtain the relationship between axial compressive force and the tube's c

[gmx-users] grompp error on nanotube

Hi,GMX group and other users:I am a new user of gromacs(version 3.3). I want to do carbon nanotube MD.When I run grompp, she told me that something must be wrong.I am still very confused  though I checked many of the "Mailing lists". So I type this for help.I will tell what I have done in details,