Hi all, I have a query regarding making .gro file for different solvent system. In SPC216.gro & MeOH.gro there is 216 water/MeOH molecules are there.In dmso.gro 208 molecules are there.In urea+h2o.gro 36 urea & 357 water molecules are there with particular box size.I couldn't understand what is the basic logic behind that? I have to make the solvent system of guanidium ion + thiocynate ion + Water molecule.I have to use different box size & different concentration (6molal,7 molal).So how will i judge how many ions & water molecule in the X.gro file like urea+h2o.gro.Is it a particular ratio between urea & water molecules for particular concentration ? If it is then this X.gro file (guanidium + thiocynate ion + water ) will be input for -cs flag in genbox for particular concentration in different size of box?
Kinshuk Raj Srivastava IIT-Bombay India _______________________________________________ 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
