My colleague and I have simulated atomistic polymers containing PEG. If the issue is just parameters, you can find them here: http://pubs.rsc.org/en/content/articlelanding/2010/sm/c001988g#!divAbstract
________________________________________ From: [email protected] <[email protected]> on behalf of dan42 <[email protected]> Sent: 17 March 2014 19:05 To: [email protected] Subject: [gmx-users] PEG residue I am new to GROMACS. I am trying to use pdb2gmx to create a topology for PEG (O-C-C)n with only H on one terminal and OH on the other. I know that I need to add a residue entry to the forcefield for example to aminoacids.rtp in the gromos54a7.ff folder. However, I do not know how to construct the residue entry. I do know the format but I do not know what values to enter for bonds, angles, dihedrals ect. Can anyone help me? -- View this message in context: http://gromacs.5086.x6.nabble.com/PEG-residue-tp5015237.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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 [email protected]. -- 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 [email protected].
