[gmx-users] dynamics with toluene as solvent

Eva Santos esantos at ICIQ.ES
Fri Sep 21 09:58:56 CEST 2007


 
Hello everyone,
 
I need to do some molecular dynamics, using gromos96 force field, with toluene as solvent. 
I have found an article which mentions the existence of an all-atom model for this solvent parametrized under gromos96 (  J.Phys. Chem. B 2004, 108, 11774-11781). However I have not managed to find  the gromacs coordinate files,  the topology files, etc. to use it in gromacs.
Do they exist anywhere?
 
 
Regards,
 
Eva
 
 



More information about the gromacs.org_gmx-users mailing list