You leap input: Where do you get the leaprc.ff14SB?
There should be something else if you are using ambertools16 (saw your amber16 folder)
Hai
> On Nov 14, 2016, at 11:41 AM, jojartb.jgypk.u-szeged.hu wrote:
>
> Dear David,
> here I send you the pdb file and the tleap file.
> If you need the original ones, you can find it attached to my first email. I attached the leap.log file as well.
> Thank you for your help in advance.
> Best regads, Balazs
>
>
> Idézet (David A Case <david.case.rutgers.edu>):
>
>>> On Mon, Nov 14, 2016, jojartb.jgypk.u-szeged.hu wrote:
>>>
>>> In my first email i wrote, that I did not find any inconsistency
>>> between the naming scheme in the pdb file and in lipid14.lib file.
>>
>> Can you post a small part of your input pdb file (containing residue 1)?
>> Plus the exact (minimal) tleap commands you used? You have convinced yourself
>> that there is no inconsistency in naming schemes, but you have not yet
>> convinced the tleap program of this.
>>
>> ....dac
>>
>>
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>
>
> <dlpc.tleap.in>
> <lipid.pdb>
> <leap.zip>
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Received on Mon Nov 14 2016 - 09:00:03 PST
