Hi!<br>I am attempting DISRES energy minimization. I'd like to turn ur attention to the 2nd & 5th line below. these contain a common atom 2711 and the distance in the PDB file to its counterpart (2444 or 2575) is 55 angstroms well within the specified range. But still I get a system explode warning!!! The distances given is between SG of CYS to another SG of a Cys. I suppose GMX is pushing/pulling and the SG comes off!!!!<br>
<br>; ai aj type index type' low up1 up2 fac<br> 2575 2620 1 1 1 60 60.1 85 1.0<br> 2575 2711 1 2 1 40 40 70 1.0<br>
; 2575 2824 1 3 1 40 40.1 60 1.0<br> 2444 2620 1 4 1 62 62.05 100.00 1.0<br> 2444 2711 1 5 1 40 40.1 80 1.0<br>
; 2444 2824 1 6 1 47 47.1 57 1.0<br>~<br><br>Any tips to overcome this problem is welcome.<br>Thanks<br>Jayant James<br clear="all"><br>-- <br>Jayasundar Jayant James<br><br><a href="http://www.chick.com/reading/tracts/0096/0096_01.asp">www.chick.com/reading/tracts/0096/0096_01.asp</a>) <br>