[gmx-users] CHARMM to GROMACS perl scripts

2010-04-09 Thread Peter Huwe
Hi, Can anybody direct me to where I can find the most recent and updated version of Mark Abraham's perl scripts for converting CHARMM parameters to GROMACS? Many Thanks, Peter -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search th

[gmx-users] grompp fatal error Unknown bond_atomtype

2010-06-22 Thread Peter Huwe
error: Unknown bond_atomtype OSL . . . OSL is defined in the atomtypes.atp file located in the force field folder that I constructed. Thus, I do not understand why it is "unknown." Does anybody know how to address this error? Many Thanks, Peter Huwe -- gmx-users mailing list

Re: [gmx-users] grompp fatal error Unknown bond_atomtype

2010-06-23 Thread Peter Huwe
> Program grompp, VERSION 4.0.99-dev-20100409-004 > Source code file: toppush.c, line: 631 > > Fatal error: > Unknown bond_atomtype OSL > > > . > . > . > OSL is defined in the atomtypes.atp file located in the fo