Hi Anwar, the answer is: Yes, sure. CU Steffen > Dear users, > Is it possible to perform an invacuum simulation with few constrained water > molecules? I dont want to use the explicit solvent, but want to use the > crystallographic water molecules in protein and perform invacuum simulation. > regards > Anwar > > ---------------------- > Mohd Anwaruddin > Project Assistant > C/o DR.H.A.Nagarajaram > Lab of Computational Biology and Bioinformatics > Center for DNA Fingerprinting and Diagnostics(CDFD) > Nacharam > Hyderabad-500 076 > INDIA. > Tel: +91-8413-235467,68,69,70 ext 2019 > [EMAIL PROTECTED] > ----------------------- > > > > - > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > 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 >
-- Dipl.-Chem. Steffen Wolf Department of Biophysics University of Bochum ND 04/67 44780 Bochum Germany Tel: +49 (0)234 32 28363 Fax: +49 (0)234 32 14626 E-Mail: [EMAIL PROTECTED] Web: http://www.bph.rub.de _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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