Dear justin
I made topology top for tfe with gromos53a5.and I solvated in spc and
40molecule tfe.I includeed tfe.itp in topology.but when I do grompp I
get this error.(I edit the name of atoms with name in rtp file HT)
Generated 165 of the 1596 non-bonded parameter combinations
ERROR 0 [file
shahrbanoo karbalaee wrote:
Dear justin
I made topology top for tfe with gromos53a5.and I solvated in spc and
40molecule tfe.I includeed tfe.itp in topology.but when I do grompp I
get this error.(I edit the name of atoms with name in rtp file HT)
Generated 165 of the 1596 non-bonded parameter
Dear justin
after edit tfe.itp , I did the command grompp and I got this error :
error input solvated.gro. Do I have to make spc.gro with tis
forcefield(gromos965a)?
best
--
sh-karbalaee
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