Hello, I have a system of polymer(P3HT)-fullerene system. I am using initially Insert-molecule command to insert N number of P3HT molecules followed by PCBM molecules. Finally I am solvating the system using Solvate command.
While I am trying to insert N=300 atoms it is successfully inserting all of them. However, while I am inserting more than 350 molecules, it is failing to do that. I tried to increase -try flag to 25000-30000 so that it can insert. But I am failing to do that. However my box does have empty volume after inserting, say 350 P3HT molecules, when it is failing to insert more. Is there any way to get this done efficiently to insert more atoms to the system? Is there any option to insert molecules using parallel processing. Thanks in advance. *Thanks and regards,* *Joydeep Munshi,* *Graduate Research Assistant,* *Packard Lab 375,* *Mechanical Engineering and Mechanics,* *Lehigh University* *Contact: (484)-821-6702* -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
