Thanks Justin for your information. But I got those lines in /gromacs 4.5.5/top/tip3p.itp -- #ifdef _FF_GROMACS #include "gmx.ff/tip3p.itp" #endif #ifdef _FF_GROMOS96 #include "gromos43a1.ff/tip3p.itp" #endif #ifdef _FF_OPLS #include "oplsaa.ff/tip3p.itp" #endif
I thought I can use tip3p.itp with G43a1 forcefield, becasue of the 2nd condition. Let me clear it. Thanks in advance. Juganta Roy -- View this message in context: http://gromacs.5086.x6.nabble.com/Atomtype-OWT3-not-found-during-EM-step-tp5009528p5009772.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
