[gmx-users] pdb file for ammonia

Hi Nisha, Hetero-Atom Navi is a collection of heteroatoms culled from the PDB. http://hetpdbnavi.nagahama-i-bio.ac.jp/index.php?mode=0 However, having only one heavy-atom, ammonia is unlikely to be usefully extracted from this resource for use in atomistic MD. You can easily make it yourself

RE: [gmx-users] pdb file for ammonia

It is easy to make one yourself. I would use molden to draw ammonia and save as pdb file. You might need to minimize before using for md. Abu > Date: Thu, 31 Dec 2009 16:21:29 -0500 > From: nishap.pa...@utoronto.ca > To: gmx-users@gromacs.org > Subject: [gmx-users]

Re: [gmx-users] pdb file for ammonia

nishap.pa...@utoronto.ca wrote: Does anyone know where I can get a pdb file for ammonia? I tried searching but I am not sure if there is a website for the pdb files I can use in gromac. Any suggestions would be helpful. For something simple like ammonia, you could probably just write the c

[gmx-users] pdb file for ammonia

Does anyone know where I can get a pdb file for ammonia? I tried searching but I am not sure if there is a website for the pdb files I can use in gromac. Any suggestions would be helpful. Thanks. Nisha -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listi