Hello Sir,
There is no other message before core dump.
when i tried leaving out -c bcc option, i got mol2 file with out
charges.
if i use glycam ff , can i use complex (protein + ligand) for input file
preparation step with tleap ?
On 2014-01-13 18:40, David A Case wrote:
> On Mon, Jan 13, 2014, Arun Kumar Somavarapu wrote:
>
>> I was trying to run antechamber for my molecule which is similar to a polymer of 8-10 glucose units.
>
> That sounds like too large a molecule in general for antechamber, and you
> should consider either breaking it into pieces, or using the Glycam force
> field.
>
> Following is only relevant if you don't wish to or cannot take the above
> advice.
>
>> antechamber -i out_hy.pdb -fi pdb -o out_hy.mol2 -fo mol2 -c bcc sqm.out file shows --------- Calculation Completed ---------- at the end. after that its giving an error of Segmentation fault (core dumped) by dumping a file which iam attaching here.
>
> The core dump file is of no real use to others. Is there any other message
> printed out? What is printed to the terminal right before the "core dump"
> message?
>
> Try leaving out the "-c bcc" part and see what happens.
>
> ...dac
>
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--
Arun Kumar Somavarapu
Project Fellow,
Dr. Pawan Gupta Lab,
Protein Science and Engineering Dept,
Institute of Microbial Tecnology,
Sec 39-A, Chandigarh - 160036.
Links:
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Received on Mon Jan 13 2014 - 11:30:02 PST
