[gmx-users] grompp error

bharat gupta bharat.85.monu at gmail.com
Sun Jan 16 09:09:10 CET 2011


I am using gromacs 4.5.3 ... I am using OPLSS force field in simulation and
while issuing grompp command for energy minimzation I am getting an error
"No molecule type NA+ exists" ... I used NA+ while issuing genion command
..., can anybody tell me where am I going wrong??

Ph.D. Candidate
Room No. : 7202A, 2nd Floor
Biomolecular Engineering Laboratory
Division of Chemical Engineering and Polymer Science
Pusan National University
Busan -609735
South Korea
Lab phone no. - +82-51-510-3680, +82-51-583-8343
Mobile no. - 010-5818-3680
E-mail : monu46010 at yahoo.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110116/74f801c7/attachment.html>

More information about the gromacs.org_gmx-users mailing list