Ok, thank you for your time. > > > jorge_quint...@ciencias.uis.edu.co wrote: >> Ok Justin, I send You a copy of muy simulation for SFE with two proteins >> + >> water. Look the top file structure. Thanks again. >> > > A quick look at the topologies indicates to me that something is badly > broken. > The net charge on each of your protein subunits is 2.505 in state A, which > is > obviously wrong. In addition, each subunit .itp file defines the molecule > as > Protein_A, which is also wrong, if you should have Protein_A and > Protein_B. > > Besides that, I don't feel the desire to do your work for you in terms of > troubleshooting. If you want advice on the errors you're seeing, post the > error > messages, as I said before. Everyone on this list has his/her own work to > be > doing, and we're not asking to do yours as well. If you want free help, > make it > easy for the people from whom you're asking it. :) > > -Justin > > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > 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 >
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