Dear All<br><br>I am using protein-drug binding.<br>when I am using grompp this error occuring:<br><br>Atomtype CR6 not found<br>and<br>Atomtype CR5 not found.<br>by what can I replace these atom types?<br>this is my drug.itp file:<br>
[ atoms ]<br>; nr type resnr resid atom cgnr charge mass<br> 1 CR61 1 LIG C11 1 0.021 13.0190 <br> 2 CR61 1 LIG C15 1 0.020 13.0190 <br> 3 CB 1 LIG C17 1 0.040 12.0110 <br>
4 O 1 LIG F1 1 -0.162 18.9984 <br> 5 CR61 1 LIG C16 1 0.021 13.0190 <br> 6 CR61 1 LIG C12 1 0.020 13.0190 <br> 7 CB 1 LIG C6 1 0.040 12.0110 <br>
8 CH1 1 LIG C1 2 0.000 12.0110 <br> 9 CH2 1 LIG C2 2 0.000 14.0270 <br> 10 CH2 1 LIG C5 3 0.120 14.0270 <br> 11 CH2 1 LIG C8 3 0.120 14.0270 <br>
12 NL 1 LIG N1 3 0.675 14.0067 <br> 13 CH3 1 LIG C18 3 0.085 15.0350 <br> 14 CH3 1 LIG C19 4 0.071 15.0350 <br> 15 H 1 LIG HAA 4 0.052 1.0080 <br>
16 OS 1 LIG O1 4 -0.147 15.9994 <br> 17 CR51 1 LIG C7 4 -0.010 13.0190 <br> 18 CB 1 LIG C4 4 0.034 12.0110 <br> 19 CR61 1 LIG C10 5 0.034 13.0190 <br>
20 CB 1 LIG C3 5 0.067 12.0110 <br> 21 CR61 1 LIG C9 5 0.034 13.0190 <br> 22 CR61 1 LIG C13 5 0.034 13.0190 <br> 23 CB 1 LIG C14 5 0.067 12.0110 <br>
24 CB 1 LIG C20 5 0.307 12.0110 <br> 25 N 1 LIG N2 5 -0.543 14.0067 <br><br>thanks in advance<br>