[gmx-users] if PRODRG calculate incorrectly
ahmedo047 at gmail.com
Fri Sep 23 08:48:01 CEST 2011
If I obtain/generate the topology file for a ligand using another program
1) How can I arrange .itp file? Because it seems very complicate.
2) Justin tutorial:
We will make use of two files that PRODRG gives us. Save the output of the
field "The GROMOS87/GROMACS coordinate file (polar/aromatic hydrogens)" into
a text file called "jz4.gro" and "The GROMACS topology" into a file called
Then how can I generate .gro file using another program?
I was obtaining .gro and .itp files using PRODRG but PRODRG is giving
2011/9/17 Mark Abraham <Mark.Abraham at anu.edu.au>
> On 17/09/2011 11:28 PM, ahmet yıldırım wrote:
>> Dear Tsjerk and Justin,
>> Thanks for your reply. I will contact the PRODRG developers.
>> can you suggest anyway/anytool for generating ligand
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