Re: [gmx-users] Charmm36 in Gromacs: missing dihedrals

2011-05-25 Thread Jon Fuller
water molecules correctly to correspond to the correct names in the tips3p.itp file in the charmm36 directory. Following this I ran grompp successfully. Many thanks, Jon On 25 May 2011 14:20, Justin A. Lemkul wrote: > > > Jon Fuller wrote: >> >> Dear all, >> >>

Re: [gmx-users] Charmm36 in Gromacs: missing dihedrals

2011-05-25 Thread Jon Fuller
Dear all, I thought that I would reply to this thread as I am having similar problems and there didn't seem to be an obvious solution. I wanted to run a simulation of a POPE bilayer using the Charmm36 parameters from the Gromacs website. So I used pdb2gmx to generate a .top file. I used the input

Re: [gmx-users] xmgrace plot

2009-12-08 Thread Jon Fuller
>From the command line you can type xmgrace file1.xvg file2.xvg (where file1 and file2 are the filenames!). Jon 2009/12/8 Henry Yang > Hello everyone, > > I am also new to xmgrace. I have two .xvg file which I have got from the > simulation data analysis. How can I open both of them in one xmg