> Thanks for providing the insight about it. I have tried it. > I have two query.. > (1) As in the case of simulation with urea as a solute and water as > solvent the corresponding file urea+h2o.gro file is given there.I have to > do simulation similar to urea i.e. guanidium ion as a solute in place of > urea.So in that case how will i be able to create Gdm+h2o.gro file > analogous to urea+h2o.gro(Gdm=Guanidium ion).
This is what genbox is for. > (2) If i have to perform simulation with varying concentration of > system(Guanidium & water), so how will i be able to do it.As i have seen > in case of urea+h2o.gro concentration of system is fixed and if i have to > generate a system of different molal(different ratio of urea and water), > so will be play with concentration. Do some back-of-the-envelope calculations about how many solvent molecules you will need for the concentrations you want. It will not be feasible to have more than a few (tens of) thousands of solvent molecules. Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
