Re: [gmx-users] Archaeal lipid packages for CHARMM36

2014-08-13 Thread Wainwright, Josh
I'm currently looking in the merged.rpt file but cannot find the lipid (PhPC) you recommended. Am I looking in the right place? Is there somewhere online I could find the lipid? Thanks, ? Josh -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Maili

Re: [gmx-users] Archaeal lipid packages for CHARMM36

2014-08-12 Thread Wainwright, Josh
know of some arhcaeal lipid parameters for CHARMM36, or how possible it would be for a beginner to add them in? Thanks, Josh Wainwright From: Wainwright, Josh Sent: 12 August 2014 16:28 To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: RE: Archaeal

Re: [gmx-users] Archaeal lipid packages for Gromos 53A6

2014-08-12 Thread Wainwright, Josh
it is more specific than "Re: Contents of gromacs.org_gmx-users digest..." Today's Topics: 1. Re: gromacs.org_gmx-users Digest, Vol 124, Issue 55 (Wainwright, Josh) 2. Re: Archaeal lipid packages for Gromos 53A6 (Justin Lemkul) 3. Iron containing structure simulation cra

Re: [gmx-users] gromacs.org_gmx-users Digest, Vol 124, Issue 55

2014-08-12 Thread Wainwright, Josh
: Problem in Ligand-Protein complex in POPC (Justin Lemkul) 3. Re: AVX vs AVX2 (Szil?rd P?ll) 4. Re: Archaeal lipid packages for Gromos 53A6 (Wainwright, Josh) 5. Re: Archaeal lipid packages for Gromos 53A6 (Justin Lemkul) -

Re: [gmx-users] Archaeal lipid packages for Gromos 53A6

2014-08-12 Thread Wainwright, Josh
Hello everybody, I am trying to find some archaeal lipid packages to work in Gromss 53A6 forcefield and have only come across those on the website lipid book: http://lipidbook.bioch.ox.ac.uk/package/show/id/20.html Unfortunately these lipid parameters are not working quite as we expected and g