<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Hi ALL,<br><br>I have a built a system of protein embeded in lipid bilayer and solvated it according to the GROMACS membrane simulation tutorial. I want to delete a few water molecules that are there in the hydrophobic core of the bilayer. I deleted them manually from the .gro file and corrected the atom numbers, but still getting an error:<br>-----------------------------------------------------------------<br>Invalid line in prt_genbox_MOD.gro for atom 73510:<br> 10.81119 10.81119 10.01306<br>-----------------------------------------------------------------<br><br>How can I modify the last line and get a correct .gro file by removing the unwanted waters? In the tutorial it is stated that there are some scripts to remove the unwanted waters. Can anyone provide me such a script.<br>Any suggestion is
welcome.<br><br><br><br>Regards,<br><br><br><div><font color="#0000bf" size="4"></font> </div><div style="color: rgb(0, 0, 191);"><strong>Anirban Ghosh</strong></div><div style="color: rgb(0, 0, 191);"><strong>Grade Based Engineer<br>Bioinformatics Team<br>Centre for Development of Advanced Computing (C-DAC)<br>Pune, India<br></strong></div></td></tr></table><br>
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