On 8/20/15 3:17 AM, Simone Bolognini wrote:
Hi everyone,
I have a .pdb file of the WW domain of human FIP35 protein extracted from
an MD calculation obtained with AMBER ff99SB-ILDN and solvent type tip3.
Now I need to obtain the topology out of it, but the .pdb contains a
residue, namely HSD,
Thank you for your answer! I did it and now gromacs throws me the following
error: Atom HG1 in residue SER 2 was not found in rtp entry SER with 11
atoms while sorting atoms.. Any clue? Thank you very much.
Il giorno gio 20 ago 2015 alle ore 13:18 Justin Lemkul jalem...@vt.edu ha
scritto:
On
Well... that was a rookie mistake. Sorry about that. Thank you!
Il giorno gio 20 ago 2015 alle ore 14:18 Justin Lemkul jalem...@vt.edu ha
scritto:
On 8/20/15 8:16 AM, Simone Bolognini wrote:
Thank you for your answer! I did it and now gromacs throws me the
following
error: Atom HG1 in
On 8/20/15 8:16 AM, Simone Bolognini wrote:
Thank you for your answer! I did it and now gromacs throws me the following
error: Atom HG1 in residue SER 2 was not found in rtp entry SER with 11
atoms while sorting atoms.. Any clue? Thank you very much.
pdb2gmx -ignh
-Justin
Il giorno gio
Hi everyone,
I have a .pdb file of the WW domain of human FIP35 protein extracted from
an MD calculation obtained with AMBER ff99SB-ILDN and solvent type tip3.
Now I need to obtain the topology out of it, but the .pdb contains a
residue, namely HSD, which is not present in the Amber residue
