Hello, I was asked to post my ligand.itp file here, but apparently the file is too big to be posted. I was supposed to receive a message telling me if the post was accepted or not. I understand that the administrators must be busy most of the time, so I would like to know if there is any other possibility to show the content of my file so that my problem could get solved.<br>
Thank you in advance.<br><br>>Hi Fabrício,<br>
><br>
>> I've checked wikigromacs, but the solution given there, to simply erase the<br>
>> second default line does not suit me here. Once I do this, i mean, go to my<br>
>> ligand.itp file and put a ; before my default section, grompp does not<br>
>> recognize anymore that my ligand is there and gives out another error line.<br>
>><br>
>Well, it's not like grompp is recognizing you have a ligand there<br>
>right now, is it? grompp doesn't reach the point where it realizes you<br>
>don't seem to have a ligand. It seems there's something wrong with the<br>
>topology. Better post ligand.itp, like Justin suggests, and also give<br>
>the error which occurs when you do comment out the defaults line in<br>
>the ligand topology.<br>
><br>
>Cheers,<br>
><br>
>Tsjerk<br>