Re: [gmx-users] Distance COM of two systems

2019-02-08 Thread laura O.
Hi, http://manual.gromacs.org/documentation/current/user-guide/cmdline.html#command-changes-between-versions help? Em qua, 6 de fev de 2019 às 14:48, Antonio PEÓN escreveu: > Hello, > > I would like to calculate the distance from the center of masses (COM) > between two systems. One would be th

Re: [gmx-users] Distance COM of two systems

2019-02-07 Thread Justin Lemkul
On 2/6/19 11:26 AM, Antonio PEÓN wrote: Hello, I would like to calculate the distance from the center of masses (COM) between two systems. One would be the center of mass of waters and another would be the center of mass of a lipid membrane. I was using this command and wanted to know if it i

[gmx-users] Distance COM of two systems

2019-02-06 Thread Antonio PEÓN
Hello, I would like to calculate the distance from the center of masses (COM) between two systems. One would be the center of mass of waters and another would be the center of mass of a lipid membrane. I was using this command and wanted to know if it is correct. gmx pairdist -f total.xtc -s m