QMMM with other solvent like alcohol

[vivek]

Hello
I am following your tutorial for QMMM
simulation for my system di alanine in alcohol. but using Conv_7.x i am
getting the segment fault.

When using water as a solvent its perfectly writing the gromos.top and other file.

Is this Conv_7.x works only for solvent WATER ????

Thank you

[ippoliti]

Dear Vivek,

Yes, the Conv_7.x program recognises only water molecules as solvent. It was developed having biological applications in mind.
The new QMMM interface for CPMD we are currently developing will probably overcome this issue.

All the best,
Emiliano