And the exclamation marks - I am pretty sure you cannot have ! comments in group input.
> On Aug 16, 2016, at 06:07, Albert <mailmd2011.gmail.com> wrote:
>
> It still failed, but the log is different;
>
> lipid14> pmemd.cuda -O -p sys.prmtop -i 02-heat.in -o 02_heat.out -r
> 02-heat.rst -c 01-mini.rst -ref 01-mini.rst -x 02-heat.nc -inf 02-heat.info
> PMEMD Terminated Abnormally!
>
>
> 5. REFERENCE ATOM COORDINATES
>
> UNK
> ----- READING GROUP 1; TITLE:
> Hold lipid fixed
>
> GROUP 1 HAS HARMONIC CONSTRAINTS 10.00000
>
> rfree: Error decoding variable 4 2 from:
> RES 1 653 !
>
>
>
>
> On 08/16/2016 02:11 PM, David A Case wrote:
>> Take out the "&" characters from the two "END" statements above.
>>
>> ...dac
>
>
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Received on Tue Aug 16 2016 - 07:30:02 PDT
