[gmx-users] perl scripts to convert CHARMM27 files into .tpr

Rina Ghosh rina_ghosh_new at yahoo.co.in
Tue Sep 18 15:31:19 CEST 2007



 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.
 
 
 
 



       
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