<br><br>I read about .hdb file and then i editted my .hdb file:<br><br>...<br><span style="background-color: rgb(255, 204, 204);">BOC <span style="background-color: rgb(204, 204, 255);"> 9 </span> </span><br style="background-color: rgb(255, 204, 204);">
<span style="background-color: rgb(255, 204, 204);">1 1 H N -C CA</span><br style="background-color: rgb(255, 204, 204);"><span style="background-color: rgb(255, 204, 204);">2 6 HA CA N CB </span><br style="background-color: rgb(255, 204, 204);">
<span style="background-color: rgb(255, 204, 204);"><span style="background-color: rgb(204, 204, 255);">1</span> 5 HB CB CA CG1 CG2</span><br style="background-color: rgb(255, 204, 204);"><span style="background-color: rgb(255, 204, 204);">1 1 HD1 CD1 CG1 CE1</span><br style="background-color: rgb(255, 204, 204);">
<span style="background-color: rgb(255, 204, 204);">1 1 HD2 CD2 CG1 CE2</span><br style="background-color: rgb(255, 204, 204);"><span style="background-color: rgb(255, 204, 204);">1 1 HE1 CE1 CD1 CZ</span><br style="background-color: rgb(255, 204, 204);">
<span style="background-color: rgb(255, 204, 204);">1 1 HE2 CE2 CD2 CZ</span><br style="background-color: rgb(255, 204, 204);"><span style="background-color: rgb(255, 204, 204);">2 6 HG CG2 CB C </span><br>
CYS2 3 <br>1 1 H N -C CA<br>1 5 HA CA N C CB<br>2 6 HB CB SG CA<br>...<br>PHE 8 <br>1 1 H N -C CA<br>1 5 HA CA N C CB<br>
2 6 HB CB CG CA<br>1 1 HD1 CD1 CG CE1<br>1 1 HD2 CD2 CG CE2<br>1 1 HE1 CE1 CD1 CZ<br>1 1 HE2 CE2 CD2 CZ<br>1 1 HZ CZ CE1 CE2<br>
...<br><br>but i got this error:<br><br>...<br>There are 1 chains and 0 blocks of water and 3 residues with 63 atoms<br><br> chain #res #atoms<br> 1 ' ' 3 63 <br><br>All occupancy fields zero. This is probably not an X-Ray structure<br>
Opening library file /usr/share/gromacs/top/ffoplsaa.atp<br>Atomtype 1<br>Reading residue database... (ffoplsaa)<br>Opening library file /usr/share/gromacs/top/ffoplsaa.rtp<br>Residue 57<br>Sorting it all out...<br>Opening library file /usr/share/gromacs/top/ffoplsaa.hdb<br>
<br>-------------------------------------------------------<br>Program pdb2gmx, VERSION 4.0.7<br>Source code file: ../../../../src/kernel/h_db.c, line: 87<br><br>Fatal error:<br><span style="background-color: rgb(255, 204, 255);">wrong format in input file ffoplsaa.hdb on line</span><br style="background-color: rgb(255, 204, 255);">
<span style="background-color: rgb(255, 204, 255);">CYS2 3 </span><br>