Re: [gmx-users] problem running the demo

2011-01-17 Thread Justin A. Lemkul
Mao Mao wrote: Hi Justin, I tried the "mixed" example today and when I ran grompp -v I got the following error: Fatal error: Topology include file "methanol.itp" not found Could you help me with that? As I said before, the demo is very outdated. I will file a redmine issue so this gets

Re: [gmx-users] problem running the demo

2011-01-17 Thread Mao Mao
Hi Justin, I tried the "mixed" example today and when I ran grompp -v I got the following error: Fatal error: Topology include file "methanol.itp" not found Could you help me with that? Thank you very much. Mao On Tue, Jan 11, 2011 at 9:43 AM, Justin A. Lemkul wrote: > > > Mao Mao wrote: > >>

Re: [gmx-users] problem running the demo

2011-01-11 Thread Justin A. Lemkul
Mao Mao wrote: Hi All, I ran into a problem when running the methanol example in "Getting Started". When I ran "grompp -v", I got the following: Fatal error: Atomtype CMET not found I installed Gromacs 4.5.3 on Ubuntu and planned to learn the software. Now I am stuck. Many thanks fo

Re: [gmx-users] problem running the demo

2011-01-11 Thread Mao Mao
Hi All, I ran into a problem when running the methanol example in "Getting Started". When I ran "grompp -v", I got the following: Fatal error: Atomtype CMET not found I installed Gromacs 4.5.3 on Ubuntu and planned to learn the software. Now I am stuck. Many thanks for your help! I really app

Re: [gmx-users] problem running the demo

2011-01-05 Thread Justin A. Lemkul
Mao Mao wrote: Hi All, I am a new user of Gromacs and Linux. I am using Ubuntu 10.10 and installed Gromacs 4.5.3 following the instructions. When I ran the demo, I found that when I pressed , the xterm window which is supposed to appear separately just flashed and disappeared immediately.