[gmx-users] Preparing 30% TFE/Water simulation

Sanket Ghawali sanket.ghawali at gmail.com
Fri Jul 29 07:44:12 CEST 2016


Dear, gmx-users,

Hello everyone,

I wish to prepare a solvation box having 30% TFE/Water mixture. I would
like too know how to calculate No of TFE and water molecules and what
should be the ratio for No of TFE molecules / No of Water molecules.

Any suggestions on how to go about doing this?


Thanks,

Sanket


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