[gmx-users] atomtypes, parameters in file do not match parameters in manual

2008-04-04 Thread Andreas Kring
Hello all. I'm new to Gromacs, so sorry for this (probably naive) question: In Table 5.3 in the Gromacs manual version 3.3, the parameters for [atomtypes] are: atom type, mass, charge, particle type, V and W. In the Gromacs directory containing the the force fields

Re: [gmx-users] atomtypes, parameters in file do not match parameters in manual

2008-04-04 Thread David van der Spoel
Andreas Kring wrote: Hello all. I'm new to Gromacs, so sorry for this (probably naive) question: In Table 5.3 in the Gromacs manual version 3.3, the parameters for [atomtypes] are: atom type, mass, charge, particle type, V and W. In the Gromacs directory containing the the force fields

Re: [gmx-users] atomtypes, parameters in file do not match parameters in manual

2008-04-04 Thread Mark Abraham
Andreas Kring wrote: Hello all. I'm new to Gromacs, so sorry for this (probably naive) question: In Table 5.3 in the Gromacs manual version 3.3, the parameters for [atomtypes] are: atom type, mass, charge, particle type, V and W. In the Gromacs directory containing the the force fields