[gmx-users] RE: Gromacs and restraints

Vitaly Chaban vvchaban at gmail.com
Wed Jul 16 19:13:46 CEST 2008

>I will be running protein in explicit water simulations and need a timestep
>of 2fs. Forces and energies in the system will be analyzed. What restraint
>setup should I choose?

I think no critical errors would occur if you use shake or lincs for
water in your case.

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