Re: [gmx-users] CMAP Dihedrals and free energy perturbations

2011-08-16 Thread Mark Abraham
On 16/08/11, "Wright, Louise" wrote: > > > > > > > > > > > > > > Hi > I was wondering if anyone could help me. I am trying to use Gromacs 4.5.4 to > do some free energy calculations. I am using the CHARMM forcefield with CMAP > and keep getting the error message: > > Fatal e

[gmx-users] CMAP Dihedrals and free energy perturbations

2011-08-16 Thread Wright, Louise
Hi I was wondering if anyone could help me. I am trying to use Gromacs 4.5.4 to do some free energy calculations. I am using the CHARMM forcefield with CMAP and keep getting the error message: Fatal error: Function type CMAP Dih. not implemented in ip_pert I noticed that someone had posted a