Re: [gmx-users] System with 4 Hypericin Molecules in Water

2012-02-02 Thread Justin A. Lemkul
Hovakim Grabski wrote: Dear GROMACS users, I have been trying to set up a simulation system containing 4 Hypericin molecules in a box of water. When I'm trying to run energy minimization,I get this error: WARNING 1 [file HYP1_GMX.itp, line 5]: Overriding atomtype CT WARNING 2 [file H

[gmx-users] System with 4 Hypericin Molecules in Water

2012-02-02 Thread Hovakim Grabski
Dear GROMACS users, I have been trying to set up a simulation system  containing  4 Hypericin molecules in a box of water. When I'm trying to run energy minimization,I get this error:   WARNING 1 [file HYP1_GMX.itp, line 5]:   Overriding atomtype CT WARNING 2 [file HYP1_GMX.itp, line 6]:   Over