[gmx-users] transfer of AMBER ion definitions to the ions.itp file
OZENGIN at KU.EDU.TR
Sat Mar 29 15:38:17 CET 2008
I am trying to use AMBER96 ff under GROMACS package. I read the suggestions that were given at http://chemistry.csulb.edu/ffamber/.
It has been stated that if any ion-related GROMACS tools will be used, then the AMBER ion definition to the ions.itp file should be added.
So, does it mean that, I will copy the ions definitions that were given in the ffamber96.rtp file to the ions.itp file?
I am a little bit confused because the definition of ions in AMBER is completely different from those of OPLS and GROMOS ff.
Thanks in advance
Computational Science & Engineering
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