Dear users I have a dimer protein which I want to minimized it..unfortunately the protein is in high energy level and before starting to minimize it explode. I already went through users email and also wiki gromacs and also I tried all the way like changing time step, change coulomb type ,... but they did not work ......
As MARK suggest me I try to minimize monomer separately but the monomers itself also have high energy and it is not possible to minimize them... I change the forcefield from olps to gromacs and minimization work. I did several minimization by gromacs forcefiled and then I tried to minimized the system by OPLS but again the system start exploiding... Is there any idea that why the minimization work by gromacs but not work with opls????? finally I should simulate my system by opls and if I want to do it my system still not minimized for OPLS.... I will apprecite if there will be some idea for my problem thanks _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
