Thanks Igor. I read some discussion about the fudgeLJ between GLYCAM and amber99SB. I am getting the feeling that ACPYPE takes care of it when it converts AMBER top and crd to GMX top and gro. Is that correct?
JH On Mon, Jan 17, 2011 at 12:07 PM, Igor Marques <igor.drago...@gmail.com>wrote: > hi there jianhui! > > i don't know if i'm fully understanding your situation, but hey, here it > goes: > > - attacha you'll find acpype.py > - download it > - change it to a executable file (chmod +x acpype.py) > - then run accordingly to its instructions or try it like in this > example: ./acpype.py -p file.top -x file.crd > > good luck, > Igor Marques > > > On Mon, Jan 17, 2011 at 6:37 PM, Jianhui Tian <jianhuit...@gmail.com>wrote: > >> I did find this page and followed the instructions. But I can not download >> it. >> >> JH >> >> >> Date: Mon, 17 Jan 2011 06:47:35 +1100 >> From: Mark Abraham <mark.abra...@anu.edu.au> >> Subject: Re: [gmx-users] ACPYPE download >> To: Discussion list for GROMACS users <gmx-users@gromacs.org> >> Message-ID: <4d334b57.7050...@anu.edu.au> >> Content-Type: text/plain; charset=ISO-8859-1; format=flowed >> >> >> On 17/01/2011 5:05 AM, Jianhui Tian wrote: >> > Hi there, >> > >> > I am trying to convert a AMBER XLEaP generated topology file of >> > Glycoprotein to GMX. The mailling list showed that ACPYPE should do >> > the work. However, I can not get the program following the >> > instructions on the wiki page. Is there anyone who has successful >> > experience using ACPYPE and would be willing to provide me the program? >> >> Did you find this page? http://code.google.com/p/acpype/wiki/HowToUse >> >> Mark >> >> -- >> gmx-users mailing list gmx-users@gromacs.org >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to gmx-users-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > >
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