[gmx-users] ffamber03 H0 atomtype in 4.5.1

2010-09-06 Thread William Joseph Allen
Hello Gromacs users, I have recently set up some simulations of a peptide using the amber03 force field in 4.5.1 and implicit solvent. When I run it through grompp, it gives me the following: --- Program grompp-4.5.1, VERSION 4.5.1 Source

Re: [gmx-users] ffamber03 H0 atomtype in 4.5.1

2010-09-06 Thread Per Larsson
Hi! This seems to be an unfortunate mistake. It should not be commented out. Thank you for reporting this, I will fix it for the next release. Cheers /Per 6 sep 2010 kl. 17.08 skrev William Joseph Allen: Hello Gromacs users, I have recently set up some simulations of a peptide using the