Hi, I'm a beginner in GROMACS and MD. I used pdb2gmx for having topology file of PDB ID: 3e7y (lnsuline). It has 4 chains A,B,C,D after pdb2gmx. When you google it, it is mentioned that insuline has 2 chains named A,B. So why it's pdb code has 4 chains? Are they couple of each other? If yes and i should remove C,D chains, is there any tool to remove them standardly ;)(not manually)?
How about Zn, Cl atoms there? Should i remove all nonbonded atoms when starting simulation? -- 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.
