your atom types are tripos and not the atom types of elvis' heme
forcefield. the mol2 does not look like something out of antechamber.
antrchamber would at least add gaff, or another forcefields atom types.
On Wed, Jun 28, 2017 at 18:04 Rana Rehan Khalid <rrkhalid.umich.edu> wrote:
> Hi everyone
> Elvis told about ff of hem and in file what are the connection between
> these two files how I use it . I copy the file of hem.frcd into pram folder
> of leap and .in file into the prep folder of leap is it right which done
> and then I source leaprc.ff14sb
> Source leaprc.gaff
> Source hem.frcd
> Then I load my protein it gives the error about hem 45 atoms while a source
> the hemfrcmod then why error come
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Received on Wed Jun 28 2017 - 21:30:04 PDT
