[gmx-users] spc water pressure VS density

Lin Zhen janezhenlin at gmail.com
Fri Jul 29 17:33:29 CEST 2005

Dear all

    I have been doing some simulation on the spc water in the gromacs
package. I used editconf -density to get different densities, then run
it over 1000000 steps, and use g_energy -sum to get the average of the
pressure. But all pressure we get are about 16 MPa or -10 MPa, close
to zero.

Because pressure should increase a lot as the density increase, but i
didn't see that, is there anything I did wrong?

Thank you very much!

Best Regards!
/ Jane Zhen Lin

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