<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:bookman old style,new york,times,serif;font-size:10pt">I trying to use angle restrain for an ligand molecule. I have included the following information in my .itp file of the ligand -<br><br>[ angle_restraints ]<br>; ai aj ak funct c0 c1 c2 c3<br> 6 1 7 1 106.95 1000 1<br>
6 1 8 1 108.83 1000 1<br> 7 1 8 1 104.96 1000 1<br> 5 2 7 1 110.66 1000 1<br> 5 2 8 1
104.98 1000 1<br>When I am running the grompp command , I am getting an error-<br>Incorrect number of parameters - found 2, expected 3 or 6 for Angle Rest..<br>------------------<br>I have gone through the manual it says that for angle restrains we have to provide the theta(degree);fc; multi.I have given all the relevant information but still there is error. Please tell me where I have gone wrong.<br><div> </div>Subarna Thakur<br><br></div><br></body></html>