[gmx-users] Gromacs

saranya saranyahoney17 at gmail.com
Tue Oct 6 07:51:11 CEST 2015

GROMACS users,

I was trying to perform a MD simulation of a system with a protein with Ag+
metal ion but realized that GROMACS does not  have parameters for the Ag+
ion. I tried to include the parameters in the ion.itp file but did not
succeed yet. Does anyone knows the right procedure to introduce this ions
into the file ions.itp? do we have to change anything more in order to
GROMACS recognize the new ion?

With Regards

*Saranya Vasudevan,*

*Research Scholar,*

*Molecular Quantum Mechanics Laboratory,*

*Department of Physics,*

*Bharathiar University,*


More information about the gromacs.org_gmx-users mailing list