So accordance with Justin's and your statement, SOL_CL_NA coupling would be a proper option. right?
Thanks for your suggestions Sincerely, Shima ________________________________ From: Gunther Lukat <g.lu...@gmx.net> To: Shima Arasteh <shima_arasteh2...@yahoo.com>; Discussion list for GROMACS users <gmx-users@gromacs.org> Sent: Thursday, March 21, 2013 4:31 PM Subject: Re: [gmx-users] T-Coupling groups in NVT I general, I have good results with coupling Ions together with the water. Dipl.-Inf. Gunther Lukat g.lu...@gmx.net www.aplvoro.org Am 21.03.2013 um 13:56 schrieb Shima Arasteh <shima_arasteh2...@yahoo.com>: Hi, > >I am simulating a system of POPC/Water/Ions/protein. >Ions are 1 M NaCL and 3 CL atoms to neutralize the system. > >In NVT step, I have coupling groups as : >tc-grps = Protein POPC SOL_CL > >comm_grps = Protein_POPC SOL_CL > >when I run the grompp for NVT, I get the error that the 615 Na atoms are not >part of any of the T-Coupling groups. > >Now, I 'd like to know if I need to couple Na with SOL_CL such as SOL_CL-Na ? >Or I need to create a seperate group for Na? > >Would you please give me suggestions? >Thanks in advance. > > >Sincerely, >Shima >-- >gmx-users mailing list gmx-users@gromacs.org >http://lists.gromacs.org/mailman/listinfo/gmx-users >* Please search the archive at >http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >* Please don't post (un)subscribe requests to the list. Use the >www interface or send it to gmx-users-requ...@gromacs.org. >* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
