[gmx-users] Re: Re: thermostate and frozen atoms

Xavier Periole periole at inka.mssm.edu
Wed Jul 30 19:00:01 CEST 2003


Did you try to position restrain your crystal instead of froze it ?
Did you try to couple to 10 K intead of zero ? 

XAvier




More information about the gromacs.org_gmx-users mailing list