Hi Dr.Lemkul you said, the breaking molecule occured because of period boudary condition, isn't it a problem?
because before your answer I thought I must select bigger box in order to the breaking won't occur. but now I understand the beaking isn't a problem. I have another question, what is difference between LJ-14 and LJ-SR, I think LJ-SR is short range interaction and LJ-14 is long range, am I right? I have a 128 DPPC, one drug molecule and 19110 water molecule in my box. when I select LJSR-SOL-SOL , then I will get vdw interaction between water molecules, but when I select LJSR:drug-drug, will I get vdw interaction between atoms of drug? because there is only one drug molecule in my box . Thank you very much for your time and your answer Regards Azadeh -- This email was Anti Virus checked by Security Gateway. -- 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.
