Re: [gmx-users] Fatal error with grompp(with detail process)

Jenny Hsu wrote: Hi all: I have a problem with grompp I want to making "POPC+protein" file and I search the archieve and follow the process 1.run pdb2gmx for protein only 2.add below parameters into my topology file #include "ffG53a6.itp" #include "lipid.itp" #include "popc.itp" 3.adjust the

Re: [gmx-users] Fatal error with grompp(with detail process)

Jenny Hsu wrote: Hi Tsjerk: One of my friends combines popc information into G53a6 that's why i try to use G53a6. If its not working, which force field should i choose? Have a look at some literature for simulations on systems similar to yours. See what they do and form your own opinions.

Re: [gmx-users] Fatal error with grompp(with detail process)

Hi Tsjerk: One of my friends combines popc information into G53a6 that's why i try to use G53a6. If its not working, which force field should i choose? Best regards, Jenny 2008/11/28 Tsjerk Wassenaar <[EMAIL PROTECTED]> > Hi Jenny, > > The files lipid.itp/popc.itp contain references to atom typ

Re: [gmx-users] Fatal error with grompp(with detail process)

Hi Jenny, The files lipid.itp/popc.itp contain references to atom types which are not in the G53a6 force field; that combination just doesn't work. lipid.itp/popc.itp were written to be used with another force field. It's generally not a good idea to mix force fields. Cheers, Tsjerk On Fri, Nov

[gmx-users] Fatal error with grompp(with detail process)

Hi all: I have a problem with grompp I want to making "POPC+protein" file and I search the archieve and follow the process 1.run pdb2gmx for protein only 2.add below parameters into my topology file #include "ffG53a6.itp" #include "lipid.itp" #include "popc.itp" 3.adjust the [ molecules ] sectio