Dear gmx-user, Until yesterday, I believe in PRODRG server. But when I inspect the result carefully, I found it does not make sense at all! Of course, its because I did not modify the input and just thought all the process will be done automatically.
Anyhow, I also found that partial charge is not plausible even after I get the plausible structure by adding some options in it. So, I tried amber's antechamber, and get .prepin file and the partial charge in it seems to be reasonable. Then, I want to convert .prepin file into .itp file. Is there a software doing that work? Or, is gromacs has tool that generate topology parameters like antechamber in amber? Thank you for reading. -- -------------------------------------------------- 'God used beautiful mathematics in creating the world.' -Paul Dirac 'But he created too many objects.' -Seungpyo Hong Seungpyo Hong Master student at PBIL(Protein BioInformatics Lab.) in KAIST, Daejeon Korea Tel. (82)-18-372-2468 [EMAIL PROTECTED] [EMAIL PROTECTED]
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