Re: [gmx-users] solute tempering (REST2)

Hi, You can patch Gromacs with Plumed and use hrex: * generate a full .top file of your system (with -pp in the grompp command) * open your .top and add "_" in the second column (type) of each atom you want to apply REST2 in the [ atoms ] section of the moleculetype * use the command "plumed

[gmx-users] solute tempering (REST2)

Dear All, Is there a tutorial for solute tempering (REST2) in gromacs or any clear guide to apply this method? Regards, Thank you Sent from my Huawei tablet -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before