Hi everyone,<div><br></div><div>I have been trying to insert a fixed no. of water molecules in my system. I first tried the -cp -cs options and could insert some water molecules. But I still need to insert few more water molecules and for that i tried using the -nmol -ci option. I made a file named "insert.gro" which has a single water molecule with the right volume associated with it. </div>
<div>But this option gave a segmentation fault and i am not sure why its doing that? May be there's not enough space for additional water but it should not give a segmentation fault for that reason. Is there something wrong with my idea?</div>
<div><br></div><div>The insert.gro looks like the following</div><div><br></div><div><div>H2O,WATJP01,SPC216,SPC-MODEL,300K,BOX(M)=0.31034NM,WFVG,MAR. 1984</div><div> 3</div><div> 1SOL OW 1 .130 .128 .113</div>
<div> 1SOL HW1 2 .037 .126 .150</div><div> 1SOL HW2 3 .131 .089 .021</div><div> 0.31034 0.31034 0.31034</div><div><br></div><div>I also tried various other box (larger) sizes for this but it didnt help. </div>
<div><br></div><div>Thank you in advance.</div><div><br></div><div>Amit</div></div>