[gmx-users] regarding GROMACS Tutorial KALP15 in DPPC

Anurag Dobhal anurag.dobhal at nano-medicine.co.in
Tue Sep 30 11:52:01 CEST 2014

Hello gromacs users.

I am running GROMACS Tutorial of  KALP15 in DPPC.

I am in the step define box and solvate.

after the command

perl inflategro.pl confout.gro 0.95 DPPC 0 system_shrink1.gro 5 area_shrink1.dat

i am getting an error as

Use of uninitialized value $box_x in multiplication (*) at
inflategro.pl line 339.
Use of uninitialized value $box_y in multiplication (*) at
inflategro.pl line 340.
Scaling lipids....
There are 0 lipids...
Illegal division by zero at inflategro.pl line 380.

I am repeating the step third time and I am getting the same error.

please help me how to skip this error.

Thank you.



*This communication is intended only for the person or entity to which it 
is addressed and may contain confidential and / or privileged material. Any 
review, retransmission, dissemination or other use is prohibited. If you 
have received this in error, please contact the sender and delete this 
material from your computer. Kindly note that this mail does not constitute 
an offer or solicitation for the purchase or sale of any financial 
instrument or as an official confirmation of any transaction. The 
information is not warranted as to completeness or accuracy and is subject 
to change without notice. Any comments or statements made herein do not 
necessarily reflect those of Nanomedicine Research Group.  Before opening 
the email or accessing any attachments, please check and scan for virus.*

More information about the gromacs.org_gmx-users mailing list