[gmx-users] Cyclohexane as a solvent

[Shima Arasteh]

Dear all,

I see cyclohexane parameters in top & par CGenFF files. Would it be correct if I add this molecule to the rtp file in charmm and then use it as a solvent rather than for example water?
Generally, how is it possible to add a new solvent to the charmm ff simulations?

Thanks in advance,
 
Sincerely,
Shima