Hi, Justin, I use Pymol to align the NMR structure and the structure after steep minimization, find problematic areas are superposition very well, while all the problematic areas have same character, that after steep minimization, Amino acid will lose some H atoms connect with C
<http://gromacs.5086.x6.nabble.com/file/n5009124/GLY124.png> <http://gromacs.5086.x6.nabble.com/file/n5009124/PRO137.png> <http://gromacs.5086.x6.nabble.com/file/n5009124/PHE141.png> <http://gromacs.5086.x6.nabble.com/file/n5009124/ASP144.png> <http://gromacs.5086.x6.nabble.com/file/n5009124/PRO165.png> <http://gromacs.5086.x6.nabble.com/file/n5009124/VAL166.png> When I check other place, find they are same with the problematic areas, amino acid lose some H atoms connect with C So, it's unlike lose H atomes cause these LINCS WARNING. maggin -- View this message in context: http://gromacs.5086.x6.nabble.com/distance-restraints-tp5008938p5009124.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
