[gmx-users] Cyclohexane as a solvent

Shima Arasteh shima_arasteh2001 at yahoo.com
Thu Jul 11 14:59:31 CEST 2013

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,

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