Thanks for your response Berk.
I have never heard of GROMOS 53b6. Does it exist?
Yes it does. I have a pdf with parameters for GROMOS 53A6 and GROMOS
53B6 (vacuo). After attempting to locate the source it appears to be
distributed to us (the pdf) when someone from Zurich was visiting.
I'll do some more chasing a let you know what I find if you are interested.
The only "vacuum" GROMOS force field I know of is 43b1.
I just removed 43b1 from Gromacs, since it is not at all a vacuum
force field.
That is good given that the pdb2gmx description is: GROMOS96 43b1
vacuum force field.
I also assume these scripts -
make_gromos_bon.pl
make_gromos_nb.pl and
make_gromos_rtp.pl
can be used to convert the GROMOS forcefield data file into something
suitable for GROMACS?
Cheers
Mitch
------------------------------------------------------------------------
> Date: Fri, 27 Jun 2008 10:45:15 +1000
> From: [EMAIL PROTECTED]
> To: gmx-users@gromacs.org
> Subject: [gmx-users] ff53b6 for GROMACS 3.3.X?
>
> Hi,
>
> I'm wondering ff53b6 is available with GROMACS or if anyone has it
or is
> the a script available to convert the GROMOS FF to the required setup
> for use in GROMACS?
>
> I'm doing some development work in vacuum.
>
> Cheers
>
> Mitch
> _______________________________________________
> gmx-users mailing list gmx-users@gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before
posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to [EMAIL PROTECTED]
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
------------------------------------------------------------------------
Express yourself instantly with MSN Messenger! MSN Messenger
<http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/>
------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
