Re: [gmx-users] NAMD file (.inp) convert to GROMACS format

2012-01-27 Thread Dariush Mohammadyani
Thanks Justin! There is one script in User Contributions page, but it does not work. I totally changed my way, I will use NAMD in this case... On Fri, Jan 27, 2012 at 2:11 PM, Justin A. Lemkul wrote: > > > Dariush Mohammadyani wrote: > >> Is there any similar script to change it for this reas

Re: [gmx-users] NAMD file (.inp) convert to GROMACS format

2012-01-27 Thread Justin A. Lemkul
Dariush Mohammadyani wrote: Is there any similar script to change it for this reason? If there is one that exists, it may have been posted to the User Contributions page of the Gromacs website. If not, maybe someone will post one for you. I've seen this question asked before with no answ

Re: [gmx-users] NAMD file (.inp) convert to GROMACS format

2012-01-27 Thread Dariush Mohammadyani
Is there any similar script to change it for this reason? On Fri, Jan 27, 2012 at 11:26 AM, Justin A. Lemkul wrote: > > > Dariush Mohammadyani wrote: > >> Hi all, >> >> I have two files (Topology and Parameter files) in NAMD format (*.inp). I >> am going to use them in GROMACS. >> Can you help

Re: [gmx-users] NAMD file (.inp) convert to GROMACS format

2012-01-27 Thread Justin A. Lemkul
Dariush Mohammadyani wrote: Hi all, I have two files (Topology and Parameter files) in NAMD format (*.inp). I am going to use them in GROMACS. Can you help me how can I use them? You'll have to have a good working knowledge of all file formats involved (which, for Gromacs, requires a tho

[gmx-users] NAMD file (.inp) convert to GROMACS format

2012-01-27 Thread Dariush Mohammadyani
Hi all, I have two files (Topology and Parameter files) in NAMD format (*.inp). I am going to use them in GROMACS. Can you help me how can I use them? Kind Regards, Dariush Mohammadyani Department of Structural Biology University of Pittsburgh School of Medicine Biomedical Science Tower 3 3501 F