There are charmm force field download from gromacs' contribution
section. You need that.
On 9/18/2007 9:31 PM, Rina Ghosh wrote:
/
// Hi Mark,//
/
/ form gmx-usesr list one mail draws my attention, where you// inform
that you are making available under GPL two perl //scripts, one of
which converts//
CHARMM27.prm file into //the necessary .itp files for pdb2gmx to use
to// produce /
/.top files, and another that massages that .top file into// something
that will produce a .tpr file that will get// CHARMM energy &// force
evaluations. /
/
I have coordinates for bilayer using CHARMM27 . I want to /
/convert this into gromacs structure file. I had tried //"PRODRG" ,
but it did not work as my .pdb file contain >2000 //atoms./
/
Plz suggest how can I get these perl scripts to make .tpr files.
Thanks.
/
/
/
------------------------------------------------------------------------
Travelling to a new city? Search for ATMs in that city. Click here.
<http://in.rd.yahoo.com/tagline_maps_1/*http://in.maps.yahoo.com>
------------------------------------------------------------------------
Try the revolutionary next-gen Yahoo! Mail. Click here.
<http://in.rd.yahoo.com/tagline_mail_10/*http://mrd.mail.yahoo.com/dc/landing>
------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list [email protected]
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 [email protected]
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
