Re: [gmx-users] Problems with forcefield amber99 in Gromacs

2007-05-29 Thread Maik Goette
Have a look into the tar again... Maybe ffamber_tip3p.gro is what you are searching for And to specify Mark's comment: You may want to include ffamber_tip3p.itp in your topology file. A further suggestion: Don't think, a software can undertake the thinking for you...We all are waiting for t

Re: [gmx-users] Problems with forcefield amber99 in Gromacs

2007-05-26 Thread David van der Spoel
Mark Abraham wrote: Hi, I have a question regarding to using forcefield amber99 in Gromacs. I have all the parameter files of amber99. I am doing the MD of carbon nanotube with DNA. I have changed the .pdb file of the DNA according to the instruction. I generated the topology of DNA with identify

Re: [gmx-users] Problems with forcefield amber99 in Gromacs

2007-05-25 Thread Mark Abraham
> Hi, > I have a question regarding to using forcefield amber99 in Gromacs. > I have all the parameter files of amber99. > I am doing the MD of carbon nanotube with DNA. > I have changed the .pdb file of the DNA according to the instruction. > I generated the topology of DNA with identifying -water

[gmx-users] Problems with forcefield amber99 in Gromacs

2007-05-25 Thread bo yang
Hi, I have a question regarding to using forcefield amber99 in Gromacs. I have all the parameter files of amber99. I am doing the MD of carbon nanotube with DNA. I have changed the .pdb file of the DNA according to the instruction. I generated the topology of DNA with identifying -water tip5p.gro.