Hi, The membrane you downloaded is for use with Berger based united-atom PE/PG lipid parameters. If you wish to make a CHARMM36 compatible mixed lipid membrane, the easiest method is probably by using the CHARMM-GUI. If you do want to use the membrane you downloaded (which I would strongly advise against), you need to also obtain the force field files and lipid topologies for use with these united-atom PE/PG lipids.
Cheers Tom ________________________________________ From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Justin Lemkul [jalem...@vt.edu] Sent: 10 April 2014 11:20 To: gmx-us...@gromacs.org Subject: Re: [gmx-users] PG/PE 3:1 lipid bilayer On 4/10/14, 2:23 AM, madhura khare wrote: > Hello all, > > I got the pre equilibrated POPE/POPG 3:1 bilayer from > http://www.softsimu.net/downloads.shtml > > While introducing the peptide to it found error with AtomTypes. I am using > charmm36-mar2014.ff. > > How to solve this? > You need to provide actual diagnostic information - exact commands used, the exact error message (everything copied and pasted from the terminal), otherwise the only response to "there was an error" is "you made a mistake." To get something more useful, and efficiently, be precise in what's going on. -Justin -- ================================================== Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- 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. -- 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.
