Re: [gmx-users] making .top file of new LJ in Water

2013-01-27 Thread Kenji Mochizuki
Dear EB Thank you very much. Now, it works and looks OK to me. Regards Kenji - Original Message - >> From: Emanuel Birru >> To: 'Discussion list for GROMACS users' >> Date: 2013-01-28 14:04:37 >> Subject: RE: [gmx-users] making .top file

RE: [gmx-users] making .top file of new LJ in Water

2013-01-27 Thread Emanuel Birru
, EB -Original Message- From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of Kenji Mochizuki Sent: Monday, 28 January 2013 3:46 PM To: gmx-users@gromacs.org Subject: [gmx-users] making .top file of new LJ in Water Dear gmx users I would like to start MD

[gmx-users] making .top file of new LJ in Water

2013-01-27 Thread Kenji Mochizuki
Dear gmx users I would like to start MD simulation for GAS Hydrate, consisting of TIP4P and LJ representing N2. I have made .top file by hand as following. When I use grompp_d for making .tpr file, I got the following error. However, LJ name in .gro file is same as in .top file, which is "NX"