RE: [gmx-users] amb2gmx for big systems

Dear Rebeca, I modestly build a program based on antechamber and inspired mostly by amb2gmx.pl: http://code.google.com/p/acpypi/ I hope it can be a bit easier to use. You should also take a look in the tutorials I put there, because the may give you an idea why you are facing problems (I suspect

RE: [gmx-users] amb2gmx for big systems

Hello, I am trying to translate the amber topology for a system membrane+protein (dry) to Gromacs. In view of the problems caused in amb2gmx.pl due to the size of the system (more than 600.000 atoms) I had tried another alternative: I created the amber topology for the protein and for a unique l

Re: [gmx-users] amb2gmx for big systems

Hi, On Thursday, 31. July 2008, Rebeca García Fandiño wrote: > Hello, > I am trying to convert a membrane-protein system from amber to gromacs > using the script amb2gmx.pl > (http://chemistry.csulb.edu/ffamber/tools.html). It is the dry system, only > the protein and a membrane composed by DOPC,