Hi Chris, The two setups were different from each other in terms of only the number of water molecules. Even the starting conformations for the two peptides were the same. I especially took care about that to leave only the number of molecules as a variable.
I calculated the error by dividing the whole data to 4, and calculated the standard deviation between the 4 sets, and divided the result by sqrt (3). For the Xavier's suggestion: I think I should wait a little, at least until having the same length of trajectory for the two sets. Thanks -- Ozge Engin ★☆
-- 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
