Re: [gmx-users] Converting Amber parameters to gromacs parameters

2014-12-16 Thread Alan
In principle, if you have _prmtop_, _inpcrd_ files, then acpype -p _prmtop_ -x _inpcrd_ [-d] should be able to handle any situation, even Amber14. Alan On 16 December 2014 at 14:12, Magnus Lundborg wrote: > > Hi, > > Have a look at acpype. That should be able to convert from Amber (not > Amb

Re: [gmx-users] Converting Amber parameters to gromacs parameters

2014-12-16 Thread Magnus Lundborg
Hi, Have a look at acpype. That should be able to convert from Amber (not Amber14 yet, I think) to Gromacs. Regards, Magnus On 12/16/2014 03:03 PM, Carlos Navarro Retamal wrote: Dear gromacs users, I found recently some parameters for a thylakoid membrane, but sadly they were for the Amber

[gmx-users] Converting Amber parameters to gromacs parameters

2014-12-16 Thread Carlos Navarro Retamal
Dear gromacs users, I found recently some parameters for a thylakoid membrane, but sadly they were for the Amber software. Is there a way to transform them into gromacs parameters? Thanks in advance, Carlos -- Carlos Navarro Retamal Bioinformatic engineer Ph.D(c) in Applied Science, Universid