Re: Re: [gmx-users] problem with the amb2gmx.pl

2013-10-09 Thread Alan
And ACPYPE does (besides several others improvements) Alan On 9 October 2013 15:24, xiao wrote: > Hi Alan, > > Thank you very much! The problem is solved. The reason is that amb2gmx > cannot distinguish the proper and improper dihedrals. > > Best wishes > > Fugui > > > > > At 2013-10-09 21:58:

Re:Re: [gmx-users] problem with the amb2gmx.pl

2013-10-09 Thread xiao
Hi Alan, Thank you very much! The problem is solved. The reason is that amb2gmx cannot distinguish the proper and improper dihedrals. Best wishes Fugui At 2013-10-09 21:58:29,Alan wrote: >Hi, try ACPYPE. > >Alan > > >On 9 October 2013 14:07, xiao wrote: > >> Dear all, >> >> I am doing

Re: [gmx-users] problem with the amb2gmx.pl

2013-10-09 Thread Alan
Hi, try ACPYPE. Alan On 9 October 2013 14:07, xiao wrote: > Dear all, > > I am doing membrane protein simulation by using amber force field. The > lipid force field parameters are from the lipid11.dat from Amber. Firstly, > i got the xx.prmtop and xx.prmcrd files, and then i used amb2gmx.pl to

[gmx-users] problem with the amb2gmx.pl

2013-10-09 Thread xiao
Dear all, I am doing membrane protein simulation by using amber force field. The lipid force field parameters are from the lipid11.dat from Amber. Firstly, i got the xx.prmtop and xx.prmcrd files, and then i used amb2gmx.pl to convert the xx.prmtop and xx.prmcrd files into gromacs files xx.top