On 2/25/15 1:15 AM, ashish bihani wrote:
Hello, I have understood my mistakes that I reported in previous queries of
this string. now, I am proceeding more systematically.
I have generated ff parameters for Inositol Pyrophosphate with the help of
PRODRG server (as mentioned in the tutorials)
Hello,
I have understood my mistakes that I reported in previous queries of this
string. now, I am proceeding more systematically.
I have generated ff parameters for Inositol Pyrophosphate with the help of
PRODRG server (as mentioned in the tutorials) as a residue and added it to
On 1/30/15 1:55 AM, ashish bihani wrote:
Hello,
I understand that .itp is a topology file. But the swissparam pack does not
have a .gro file. How do I create solvated.gro ? (which has to be used in
grompp)
Is there a way to convert .itp in .top and .gro ? GROMACS tutorial does not say
Hello all,
I have generated a PDB file for Inositol pyrophosphate using pyMOL to build the
structure from scratch. I have converted PDB to mol2 with openbabel and
submitted at Swissparam (http://swissparam.ch/) which returned a zip file
containing various files of the same name (.itp,
On 1/29/15 6:23 AM, ashish bihani wrote:
Hello all,
I have generated a PDB file for Inositol pyrophosphate using pyMOL to build the
structure from scratch. I have converted PDB to mol2 with openbabel and
submitted at Swissparam (http://swissparam.ch/) which returned a zip file
Hello,
I understand that .itp is a topology file. But the swissparam pack does not
have a .gro file. How do I create solvated.gro ? (which has to be used in
grompp)
Is there a way to convert .itp in .top and .gro ? GROMACS tutorial does not say
whether .itp can sustitute the other two.
From:
