Hello, Thank you. I got the point but I have a doubt, "equilibrate under NPT until the pressure and temperature are stable, then switch to NVT to eliminate the boiling issue", how exactly it will eliminate the boiling issue if we dont use higher pressure while equlibrating? (as you said that it is difficult to simulate at high pressure due to stability reasons.)
Thank you With Regards Kavya
-- 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
