Re: [gmx-users] amber force field problem: ignh doesnot work

2008-03-24 Thread Justin A. Lemkul
Read the documentation on the site where you got the ffamber ports: http://chemistry.csulb.edu/ffamber/index.html#usage The Amber force fields are particular about residue nomenclature. -Justin Quoting Liu Shiyong <[EMAIL PROTECTED]>: > Hi, > > I install amber force filed according to source

[gmx-users] amber force field problem: ignh doesnot work

2008-03-24 Thread Liu Shiyong
Hi, I install amber force filed according to source: http://chemistry.csulb.edu/ffamber/index.html But , I run pdb2gmx, I got a problem. Program pdb2gmx, VERSION 3.3.1 pdb2gmx -ignh -ff amber99 -f r-l_1.pdb Opening library file /export/apps/gromacs-3.3.1-Amber /share/gromacs/top//ffamber99