<![CDATA[Multiwfn forum / Gromacs itp file error]]> http://sobereva.com/wfnbbs/viewtopic.php?id=1629 Thu, 13 Mar 2025 17:37:48 +0000 FluxBB <![CDATA[Re: Gromacs itp file error]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=4970#p4970 atomtype opls_800 is involved in your topology file, while it was not defined in [ atomtypes ] field, so you need to add its definition to [ atomtypes ] field.

]]> Thu, 13 Mar 2025 17:37:48 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=4970#p4970 <![CDATA[Gromacs itp file error]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=4968#p4968 good morning, sir

Iam trying to MD simulation by using Gromacs
i got error in ligand topology file
how it is solve?

Screenshot-2025-03-12-101316.png

]]> Wed, 12 Mar 2025 04:56:12 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=4968#p4968