Re: [gmx-users] adding hydrogen atoms into a POPC membrane

2014-12-14 Thread Thomas Piggot
Hi Carlos, You can make one very easily yourself by taking a pdb of one CHARRM36 POPC lipid and using pdb2gmx. You only then need to make very minor modifications to convert the .top into an .itp. Cheers Tom On 12/14/2014 08:58 PM, Carlos Navarro Retamal wrote: Dear Tsjerk, Could you pleas

Re: [gmx-users] adding hydrogen atoms into a POPC membrane

2014-12-14 Thread Carlos Navarro Retamal
Dear Tsjerk, Could you please send me the popc.itp file for chamm36 forcefield? If you have any troubles with my institutional email account, try to my gmail account (it is on my signature) Best regards, Carlos -- Carlos Navarro Retamal Bioinformatic engineer Ph.D(c) in Applied Science, Univer

Re: [gmx-users] adding hydrogen atoms into a POPC membrane

2014-12-13 Thread Carlos Navarro Retamal
Hi everyone, First of all thanks to both of you for your quick replies. Dear Tsjerk, I’ll be much appreciated if you could send me the *itp file of POPC. Thanks a lot, Carlos -- Carlos Navarro Retamal Bioinformatic engineer Ph.D(c) in Applied Science, Universidad de Talca, Chile Center of Bioi

Re: [gmx-users] adding hydrogen atoms into a POPC membrane

2014-12-13 Thread Tsjerk Wassenaar
Hey, The all atom mapping of Martini to CHARMM36 is available in backward/initram, so the conversion can be done directly. You only need to have a CHARMM36 POPC itp file. I can provide one if needed. Cheers, Tsjerk On Dec 13, 2014 3:38 PM, "Justin Lemkul" wrote: > > > On 12/13/14 12:47 AM, Car

Re: [gmx-users] adding hydrogen atoms into a POPC membrane

2014-12-13 Thread Justin Lemkul
On 12/13/14 12:47 AM, Carlos Navarro Retamal wrote: Dear gromacs users, I just ran a CG simulation of a system consisting in a protein embedded in a POPC membrane solvated in water. After that i ran the script .initram to obtain an AA representation of my system (gromos54a7), but sadly i coul

[gmx-users] adding hydrogen atoms into a POPC membrane

2014-12-12 Thread Carlos Navarro Retamal
Dear gromacs users, I just ran a CG simulation of a system consisting in a protein embedded in a POPC membrane solvated in water. After that i ran the script .initram to obtain an AA representation of my system (gromos54a7), but sadly i couldn’t find a *.itp with the description of the hydro