On Tue, Jul 25, 2023, Zafar,Muhammad Saqlain wrote:
>
>packmol < water.inp &
>tleap
>source leaprc.protein.ff14SB
>source leaprc.gaff
>loadoff solvents.lib
> HOH = TP5
>WAT = TP5
>loadamberparams frcmod.tip5p
>mol=loadpdb system_new_pdb.pdb
>setbox mol vdw
>saveamberparm mol wtr_1.prmtop wtr_2.prmcrd
> quit
>While saving ( saveamberparm mol wtr_1.prmtop wtr_2.prmcrd ) following error comes.
>Error: Failed to generate parameters
>Warning: Parameter file was not saved.
>i want to know where i am having problem.
Please examine the leap.log file and tleap output carefully. There is
almost certainly a error message before what you quoted above that will
explain the problem.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 26 2023 - 07:30:03 PDT
